5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

About 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (PubChem CID 135256869) has the molecular formula C27H21FN10O2 and a molecular weight of 536.53 g/mol. Its IUPAC name is 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name	5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
PubChem CID	135256869
Molecular Formula	C27H21FN10O2
Molecular Weight	536.53 g/mol
Exact Mass	536.18
IUPAC Name	5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
SMILES	Cc1cc(Nc2noc(C#N)n2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccc(F)nc4C)nc3)nc2)n1
InChI	InChI=1S/C27H21FN10O2/c1-14-10-23(36-27-37-24(11-29)40-38-27)35-25(32-14)18-5-8-21(31-13-18)26(39)34-15(2)17-4-7-20(30-12-17)19-6-9-22(28)33-16(19)3/h4-10,12-13,15H,1-3H3,(H,34,39)(H,32,35,36,38)
InChIKey	HBYLZECUTOPCMI-UHFFFAOYSA-N
XLogP	4.24
TPSA	168.29 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.53
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (CID 135256869) is 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is Cc1cc(Nc2noc(C#N)n2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccc(F)nc4C)nc3)nc2)n1.

What is the InChIKey of 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

The InChIKey is HBYLZECUTOPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN10O2/c1-14-10-23(36-27-37-24(11-29)40-38-27)35-25(32-14)18-5-8-21(31-13-18)26(39)34-15(2)17-4-7-20(30-12-17)19-6-9-22(28)33-16(19)3/h4-10,12-13,15H,1-3H3,(H,34,39)(H,32,35,36,38).

What are the key properties of 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide has a molecular weight of 536.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).