N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide

C16H18FN3O — CID 115498329

IUPACN-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1cccc(C(=O)N(C)c2ccccc2F)n1
InChIInChI=1S/C16H18FN3O/c1-11(2)18-15-10-6-8-13(19-15)16(21)20(3)14-9-5-4-7-12(14)17/h4-11H,1-3H3,(H,18,19)
InChIKeyHDQPIAYYYLQTLI-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.32
Rot. Bonds4

About N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide

N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 115498329) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID115498329
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1cccc(C(=O)N(C)c2ccccc2F)n1
InChIInChI=1S/C16H18FN3O/c1-11(2)18-15-10-6-8-13(19-15)16(21)20(3)14-9-5-4-7-12(14)17/h4-11H,1-3H3,(H,18,19)
InChIKeyHDQPIAYYYLQTLI-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498285
N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498309
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498349
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 115498234
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
CID 107027760
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
N-ethyl-N-(1-methoxypropan-2-yl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498270

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide (CID 115498329) is N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1cccc(C(=O)N(C)c2ccccc2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is HDQPIAYYYLQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(2)18-15-10-6-8-13(19-15)16(21)20(3)14-9-5-4-7-12(14)17/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide?
N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 115498329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).