N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

C13H18N2O2 — CID 64868056

IUPACN-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccncc1
InChIInChI=1S/C13H18N2O2/c16-12(11-4-8-14-9-5-11)15-10-13(17)6-2-1-3-7-13/h4-5,8-9,17H,1-3,6-7,10H2,(H,15,16)
InChIKeyWNENSGBOQUPXBE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 64868056) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID64868056
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccncc1
InChIInChI=1S/C13H18N2O2/c16-12(11-4-8-14-9-5-11)15-10-13(17)6-2-1-3-7-13/h4-5,8-9,17H,1-3,6-7,10H2,(H,15,16)
InChIKeyWNENSGBOQUPXBE-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75484641
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (CID 64868056) is N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is O=C(NCC1(O)CCCCC1)c1ccncc1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is WNENSGBOQUPXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12(11-4-8-14-9-5-11)15-10-13(17)6-2-1-3-7-13/h4-5,8-9,17H,1-3,6-7,10H2,(H,15,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 64868056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).