N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide

C15H16FN3O — CID 71849163

IUPACN-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(CNc1ccccc1)NC(=O)c1ccncc1F
InChIInChI=1S/C15H16FN3O/c1-11(9-18-12-5-3-2-4-6-12)19-15(20)13-7-8-17-10-14(13)16/h2-8,10-11,18H,9H2,1H3,(H,19,20)
InChIKeyBYIQKTJTJHYQRV-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.45
Rot. Bonds5

About N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide

N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 71849163) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID71849163
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(CNc1ccccc1)NC(=O)c1ccncc1F
InChIInChI=1S/C15H16FN3O/c1-11(9-18-12-5-3-2-4-6-12)19-15(20)13-7-8-17-10-14(13)16/h2-8,10-11,18H,9H2,1H3,(H,19,20)
InChIKeyBYIQKTJTJHYQRV-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 64950275

Frequently Asked Questions

What is the IUPAC name of N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide (CID 71849163) is N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide is CC(CNc1ccccc1)NC(=O)c1ccncc1F.
What is the InChIKey of N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is BYIQKTJTJHYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11(9-18-12-5-3-2-4-6-12)19-15(20)13-7-8-17-10-14(13)16/h2-8,10-11,18H,9H2,1H3,(H,19,20).
What are the key properties of N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide?
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 71849163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).