5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid

C18H21N3O2 — CID 135241712

IUPAC5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(C3CCCCC3)cn2)cn1
InChIInChI=1S/C18H21N3O2/c22-18(23)17-9-8-16(12-21-17)20-11-15-7-6-14(10-19-15)13-4-2-1-3-5-13/h6-10,12-13,20H,1-5,11H2,(H,22,23)
InChIKeyXNVXMTHSTKKRJL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.83
Rot. Bonds5

About 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid

5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 135241712) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid
PubChem CID135241712
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(C3CCCCC3)cn2)cn1
InChIInChI=1S/C18H21N3O2/c22-18(23)17-9-8-16(12-21-17)20-11-15-7-6-14(10-19-15)13-4-2-1-3-5-13/h6-10,12-13,20H,1-5,11H2,(H,22,23)
InChIKeyXNVXMTHSTKKRJL-UHFFFAOYSA-N
XLogP3.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyclohexylphenyl)pyridine-2-carboxylic acid
CID 63424090
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
6-[(5-cyclohexyl-2-pyridinyl)methylamino]-2-methylisoquinolin-1-one
CID 165152901
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 115490737
5-[(1,1-dioxothiolan-2-yl)methylamino]pyridine-2-carboxylic acid
CID 113321675
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
CID 166295148
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid (CID 135241712) is 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccc(C3CCCCC3)cn2)cn1.
What is the InChIKey of 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is XNVXMTHSTKKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(23)17-9-8-16(12-21-17)20-11-15-7-6-14(10-19-15)13-4-2-1-3-5-13/h6-10,12-13,20H,1-5,11H2,(H,22,23).
What are the key properties of 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid?
5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 135241712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).