N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide

C16H24FN3O — CID 105384839

IUPACN-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCC2CCCCC2)c1F
InChIInChI=1S/C16H24FN3O/c1-2-9-18-15-14(17)13(8-10-19-15)16(21)20-11-12-6-4-3-5-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyXNDUFTQMMLRDRI-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.35
Rot. Bonds6

About N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide

N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105384839) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
PubChem CID105384839
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCC2CCCCC2)c1F
InChIInChI=1S/C16H24FN3O/c1-2-9-18-15-14(17)13(8-10-19-15)16(21)20-11-12-6-4-3-5-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyXNDUFTQMMLRDRI-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387471
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide (CID 105384839) is N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NCC2CCCCC2)c1F.
What is the InChIKey of N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is XNDUFTQMMLRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-9-18-15-14(17)13(8-10-19-15)16(21)20-11-12-6-4-3-5-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105384839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).