N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C20H29N5O3 — CID 56856800

IUPACN-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCn1cccn1)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C20H29N5O3/c1-24(12-13-25-11-5-10-22-25)14-16-6-7-17(19(27)23-16)18(26)21-15-20(28)8-3-2-4-9-20/h5-7,10-11,28H,2-4,8-9,12-15H2,1H3,(H,21,26)(H,23,27)
InChIKeyUQXOVKGLUCVXBG-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.13
Rot. Bonds8

About N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56856800) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56856800
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCn1cccn1)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C20H29N5O3/c1-24(12-13-25-11-5-10-22-25)14-16-6-7-17(19(27)23-16)18(26)21-15-20(28)8-3-2-4-9-20/h5-7,10-11,28H,2-4,8-9,12-15H2,1H3,(H,21,26)(H,23,27)
InChIKeyUQXOVKGLUCVXBG-UHFFFAOYSA-N
XLogP1.13
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56856800) is N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CN(CCn1cccn1)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UQXOVKGLUCVXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-24(12-13-25-11-5-10-22-25)14-16-6-7-17(19(27)23-16)18(26)21-15-20(28)8-3-2-4-9-20/h5-7,10-11,28H,2-4,8-9,12-15H2,1H3,(H,21,26)(H,23,27).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56856800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).