N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide

C78H75F4N25O4 — CID 158239633

About N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide

N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 158239633) has the molecular formula C78H75F4N25O4 and a molecular weight of 1502.62 g/mol. Its IUPAC name is N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
• PubChem CID: 158239633
• Molecular Formula: C78H75F4N25O4
• Molecular Weight: 1502.62 g/mol
• Exact Mass: 1501.64
• IUPAC Name: N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
• SMILES: CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(C#N)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nn[nH]n2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nnnn2C)CC1
• InChI: InChI=1S/2C20H20FN7O.C19H18FN7O.C19H17FN4O/c1-13-8-10-28(20-24-25-26-27(20)2)12-17(13)14-3-5-15(6-4-14)23-19(29)16-7-9-22-11-18(16)21;1-13-8-10-28(20-24-26-27(2)25-20)12-17(13)14-3-5-15(6-4-14)23-19(29)16-7-9-22-11-18(16)21;1-12-7-9-27(19-23-25-26-24-19)11-16(12)13-2-4-14(5-3-13)22-18(28)15-6-8-21-10-17(15)20;1-13-7-9-24(12-21)11-17(13)14-2-4-15(5-3-14)23-19(25)16-6-8-22-10-18(16)20/h2*3-7,9,11H,8,10,12H2,1-2H3,(H,23,29);2-6,8,10H,7,9,11H2,1H3,(H,22,28)(H,23,24,25,26);2-6,8,10H,7,9,11H2,1H3,(H,23,25)
• InChIKey: GFJQQHXYXFAKEP-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 346.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1502.62
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?

The IUPAC name of N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide (CID 158239633) is N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide is CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(C#N)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nn[nH]n2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nnnn2C)CC1.

What is the InChIKey of N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?

The InChIKey is GFJQQHXYXFAKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20FN7O.C19H18FN7O.C19H17FN4O/c1-13-8-10-28(20-24-25-26-27(20)2)12-17(13)14-3-5-15(6-4-14)23-19(29)16-7-9-22-11-18(16)21;1-13-8-10-28(20-24-26-27(2)25-20)12-17(13)14-3-5-15(6-4-14)23-19(29)16-7-9-22-11-18(16)21;1-12-7-9-27(19-23-25-26-24-19)11-16(12)13-2-4-14(5-3-13)22-18(28)15-6-8-21-10-17(15)20;1-13-7-9-24(12-21)11-17(13)14-2-4-15(5-3-14)23-19(25)16-6-8-22-10-18(16)20/h2*3-7,9,11H,8,10,12H2,1-2H3,(H,23,29);2-6,8,10H,7,9,11H2,1H3,(H,22,28)(H,23,24,25,26);2-6,8,10H,7,9,11H2,1H3,(H,23,25).

What are the key properties of N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?

N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 1502.62 g/mol, XLogP of 11.46, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 158239633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).