N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide

C14H21N3O2 — CID 136581383

IUPACN-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NC2CCC(CO)CC2)cn1
InChIInChI=1S/C14H21N3O2/c1-15-13-7-4-11(8-16-13)14(19)17-12-5-2-10(9-18)3-6-12/h4,7-8,10,12,18H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,19)
InChIKeyOFDWNBGKFVTAIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.40
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide

N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 136581383) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID136581383
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NC2CCC(CO)CC2)cn1
InChIInChI=1S/C14H21N3O2/c1-15-13-7-4-11(8-16-13)14(19)17-12-5-2-10(9-18)3-6-12/h4,7-8,10,12,18H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,19)
InChIKeyOFDWNBGKFVTAIB-UHFFFAOYSA-N
XLogP1.40
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide (CID 136581383) is N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)NC2CCC(CO)CC2)cn1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is OFDWNBGKFVTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-13-7-4-11(8-16-13)14(19)17-12-5-2-10(9-18)3-6-12/h4,7-8,10,12,18H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide?
N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 136581383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).