2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide

C19H22F2N4O2 — CID 75392728

IUPAC2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(CN(C)C(=O)c1ccnc(F)c1)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C19H22F2N4O2/c1-12(2)8-15(24-18(26)13-4-6-22-16(20)9-13)11-25(3)19(27)14-5-7-23-17(21)10-14/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,24,26)
InChIKeyFVSBEPYQGQKVDW-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.67
Rot. Bonds7

About 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide

2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide (PubChem CID 75392728) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide
PubChem CID75392728
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(CN(C)C(=O)c1ccnc(F)c1)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C19H22F2N4O2/c1-12(2)8-15(24-18(26)13-4-6-22-16(20)9-13)11-25(3)19(27)14-5-7-23-17(21)10-14/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,24,26)
InChIKeyFVSBEPYQGQKVDW-UHFFFAOYSA-N
XLogP2.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide (CID 75392728) is 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide is CC(C)CC(CN(C)C(=O)c1ccnc(F)c1)NC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide?
The InChIKey is FVSBEPYQGQKVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-12(2)8-15(24-18(26)13-4-6-22-16(20)9-13)11-25(3)19(27)14-5-7-23-17(21)10-14/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,24,26).
What are the key properties of 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 75392728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).