2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide

C13H19N3O2 — CID 114147498

IUPAC2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCC1CCC(O)CC1
InChIInChI=1S/C13H19N3O2/c14-12(18)11-2-1-7-15-13(11)16-8-9-3-5-10(17)6-4-9/h1-2,7,9-10,17H,3-6,8H2,(H2,14,18)(H,15,16)
InChIKeyATCWSCVIVHFPRD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.14
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide

2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide (PubChem CID 114147498) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
PubChem CID114147498
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCC1CCC(O)CC1
InChIInChI=1S/C13H19N3O2/c14-12(18)11-2-1-7-15-13(11)16-8-9-3-5-10(17)6-4-9/h1-2,7,9-10,17H,3-6,8H2,(H2,14,18)(H,15,16)
InChIKeyATCWSCVIVHFPRD-UHFFFAOYSA-N
XLogP1.14
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
CID 103269706
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]pyridine-3-carboxamide
CID 131890985
3-[(4-hydroxycyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 114148596
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
CID 63898975
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide (CID 114147498) is 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cccnc1NCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide?
The InChIKey is ATCWSCVIVHFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12(18)11-2-1-7-15-13(11)16-8-9-3-5-10(17)6-4-9/h1-2,7,9-10,17H,3-6,8H2,(H2,14,18)(H,15,16).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide?
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 114147498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).