2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid

C16H24N2O3 — CID 106136570

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C16H24N2O3/c1-2-4-13-8-12(16(20)21)9-15(18-13)17-10-11-5-3-6-14(19)7-11/h8-9,11,14,19H,2-7,10H2,1H3,(H,17,18)(H,20,21)
InChIKeyFBHCJYKIIBYLKU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.70
Rot. Bonds6

About 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid

2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid (PubChem CID 106136570) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
PubChem CID106136570
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C16H24N2O3/c1-2-4-13-8-12(16(20)21)9-15(18-13)17-10-11-5-3-6-14(19)7-11/h8-9,11,14,19H,2-7,10H2,1H3,(H,17,18)(H,20,21)
InChIKeyFBHCJYKIIBYLKU-UHFFFAOYSA-N
XLogP2.70
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
CID 106120801
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbenzoic acid
CID 114148427
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
CID 106287098
2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113380086
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid (CID 106136570) is 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NCC2CCCC(O)C2)n1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid?
The InChIKey is FBHCJYKIIBYLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-4-13-8-12(16(20)21)9-15(18-13)17-10-11-5-3-6-14(19)7-11/h8-9,11,14,19H,2-7,10H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid?
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 106136570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).