3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide

C13H16FN5O — CID 105386738

IUPAC3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCc2cnc[nH]2)c1F
InChIInChI=1S/C13H16FN5O/c1-2-4-16-12-11(14)10(3-5-17-12)13(20)18-7-9-6-15-8-19-9/h3,5-6,8H,2,4,7H2,1H3,(H,15,19)(H,16,17)(H,18,20)
InChIKeyRSBXZOLXZOPABS-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.70
Rot. Bonds6

About 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105386738) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID105386738
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCc2cnc[nH]2)c1F
InChIInChI=1S/C13H16FN5O/c1-2-4-16-12-11(14)10(3-5-17-12)13(20)18-7-9-6-15-8-19-9/h3,5-6,8H,2,4,7H2,1H3,(H,15,19)(H,16,17)(H,18,20)
InChIKeyRSBXZOLXZOPABS-UHFFFAOYSA-N
XLogP1.70
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385645
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105386261
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408130
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
3-fluoro-N-[2-(furan-2-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385394
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide (CID 105386738) is 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NCc2cnc[nH]2)c1F.
What is the InChIKey of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is RSBXZOLXZOPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-2-4-16-12-11(14)10(3-5-17-12)13(20)18-7-9-6-15-8-19-9/h3,5-6,8H,2,4,7H2,1H3,(H,15,19)(H,16,17)(H,18,20).
What are the key properties of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).