2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid

C14H20N2O3 — CID 114148584

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
SMILESCc1ccnc(NCC2CCCC(O)C2)c1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-5-6-15-13(12(9)14(18)19)16-8-10-3-2-4-11(17)7-10/h5-6,10-11,17H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyAKHKAAYGCQGWJI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.05
Rot. Bonds4

About 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid

2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid (PubChem CID 114148584) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
PubChem CID114148584
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
SMILESCc1ccnc(NCC2CCCC(O)C2)c1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-5-6-15-13(12(9)14(18)19)16-8-10-3-2-4-11(17)7-10/h5-6,10-11,17H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyAKHKAAYGCQGWJI-UHFFFAOYSA-N
XLogP2.05
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106022164
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbenzoic acid
CID 114148427
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 103931018
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61004045
2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 106137549

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid (CID 114148584) is 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid is Cc1ccnc(NCC2CCCC(O)C2)c1C(=O)O.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid?
The InChIKey is AKHKAAYGCQGWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-6-15-13(12(9)14(18)19)16-8-10-3-2-4-11(17)7-10/h5-6,10-11,17H,2-4,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid?
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114148584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).