2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide

C16H15FN4O2 — CID 118071000

IUPAC2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)cnc1F
InChIInChI=1S/C16H15FN4O2/c1-9-6-12(8-19-14(9)17)20-16(23)11-4-5-18-13(7-11)21-15(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,23)(H,18,21,22)
InChIKeyXXNHQMFVKYOPJT-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.52
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118071000) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118071000
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)cnc1F
InChIInChI=1S/C16H15FN4O2/c1-9-6-12(8-19-14(9)17)20-16(23)11-4-5-18-13(7-11)21-15(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,23)(H,18,21,22)
InChIKeyXXNHQMFVKYOPJT-UHFFFAOYSA-N
XLogP2.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064448
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842707
2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065419
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(1-cyanocyclopropyl)-N-[5-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 168929567
N-[5-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-6-methyl-3-pyridinyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168929782
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide (CID 118071000) is 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide is Cc1cc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)cnc1F.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is XXNHQMFVKYOPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-9-6-12(8-19-14(9)17)20-16(23)11-4-5-18-13(7-11)21-15(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,23)(H,18,21,22).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118071000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).