3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide

C13H19N3O2 — CID 113447709

IUPAC3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H19N3O2/c14-10-5-4-8-15-11(10)12(18)16-13(9-17)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7,9,14H2,(H,16,18)
InChIKeyDTAZKVZLEMPWGO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide

3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide (PubChem CID 113447709) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
PubChem CID113447709
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H19N3O2/c14-10-5-4-8-15-11(10)12(18)16-13(9-17)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7,9,14H2,(H,16,18)
InChIKeyDTAZKVZLEMPWGO-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-Fluorophenyl)ethynyl]-N-(2-hydroxy-1,1-dimethylethyl)-2-pyridinecarboxamide
CID 53384874
3-amino-N-[4-[(3R,4S)-3-amino-4-hydroxycyclohexen-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 59226519
Hydroxyethylamine-based inhibitor 11b
CID 6539262
3-amino-N-[4-(3-amino-4-hydroxycyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 46178378
Hydroxyethylamine-based inhibitor 6
CID 6539258
Hydroxyethylamine-based inhibitor 11a
CID 6539261
N-(2-Hydroxyethyl)picolinamide
CID 2045999
N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384876
3-Phenyl-2-[[2-(pyridine-2-carbonylamino)benzoyl]amino]propanoic acid
CID 11361258
2-N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]pyridine-2,5-dicarboxamide
CID 75388522
3-Phenyl-2-(pyridine-2-carbonylamino)propanoic acid
CID 16771212
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)picolinamide
CID 71788621

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide (CID 113447709) is 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is DTAZKVZLEMPWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-5-4-8-15-11(10)12(18)16-13(9-17)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7,9,14H2,(H,16,18).
What are the key properties of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide?
3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 113447709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).