1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide

C13H19N3O2 — CID 70056756

IUPAC1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ncccc2O)CCCCC1
InChIInChI=1S/C13H19N3O2/c14-9-13(6-2-1-3-7-13)12(18)16-11-10(17)5-4-8-15-11/h4-5,8,17H,1-3,6-7,9,14H2,(H,15,16,18)
InChIKeyWUZYCMZRGQEMNI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds3

About 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 70056756) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide
PubChem CID70056756
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ncccc2O)CCCCC1
InChIInChI=1S/C13H19N3O2/c14-9-13(6-2-1-3-7-13)12(18)16-11-10(17)5-4-8-15-11/h4-5,8,17H,1-3,6-7,9,14H2,(H,15,16,18)
InChIKeyWUZYCMZRGQEMNI-UHFFFAOYSA-N
XLogP1.63
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide
CID 113311587
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
CID 115434790
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
CID 83166521
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide (CID 70056756) is 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide is NCC1(C(=O)Nc2ncccc2O)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is WUZYCMZRGQEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-13(6-2-1-3-7-13)12(18)16-11-10(17)5-4-8-15-11/h4-5,8,17H,1-3,6-7,9,14H2,(H,15,16,18).
What are the key properties of 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 70056756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).