1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C24H31N3O4 — CID 58067527

IUPAC1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccnc(NCC4CCCCC4)c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C24H31N3O4/c28-20-15-27(14-19(22(20)29)23(30)31)16-24(9-4-5-10-24)18-8-11-25-21(12-18)26-13-17-6-2-1-3-7-17/h8,11-12,14-15,17,28H,1-7,9-10,13,16H2,(H,25,26)(H,30,31)
InChIKeyQUEXVQSMAYJYFC-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.15
Rot. Bonds7

About 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067527) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067527
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccnc(NCC4CCCCC4)c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C24H31N3O4/c28-20-15-27(14-19(22(20)29)23(30)31)16-24(9-4-5-10-24)18-8-11-25-21(12-18)26-13-17-6-2-1-3-7-17/h8,11-12,14-15,17,28H,1-7,9-10,13,16H2,(H,25,26)(H,30,31)
InChIKeyQUEXVQSMAYJYFC-UHFFFAOYSA-N
XLogP4.15
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid with MolForge

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Related Compounds

3-(cyclohexylmethylamino)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117103087
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
CID 117102894
N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547276
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 144808040
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
CID 89101111
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067527) is 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccnc(NCC4CCCCC4)c3)CCCC2)cc(O)c1=O.
What is the InChIKey of 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is QUEXVQSMAYJYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-20-15-27(14-19(22(20)29)23(30)31)16-24(9-4-5-10-24)18-8-11-25-21(12-18)26-13-17-6-2-1-3-7-17/h8,11-12,14-15,17,28H,1-7,9-10,13,16H2,(H,25,26)(H,30,31).
What are the key properties of 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 425.53 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(cyclohexylmethylamino)-4-pyridinyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).