N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C14H16N4O2 — CID 111539645

IUPACN-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cccc(-n2cccn2)n1
InChIInChI=1S/C14H16N4O2/c19-13(15-10-14(20)6-2-7-14)11-4-1-5-12(17-11)18-9-3-8-16-18/h1,3-5,8-9,20H,2,6-7,10H2,(H,15,19)
InChIKeyJAPHQCIGMVLLBH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.91
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 111539645) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID111539645
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cccc(-n2cccn2)n1
InChIInChI=1S/C14H16N4O2/c19-13(15-10-14(20)6-2-7-14)11-4-1-5-12(17-11)18-9-3-8-16-18/h1,3-5,8-9,20H,2,6-7,10H2,(H,15,19)
InChIKeyJAPHQCIGMVLLBH-UHFFFAOYSA-N
XLogP0.91
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US9605005, Example 55
CID 117923520
N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
CID 10570712
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 162623030
5-tert-butyl-1-(5-fluoro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162672350
US9586948, Example 10
CID 117871724
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide
CID 156208573
N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 146426592
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide
CID 162675834
US9605005, Example 79
CID 117923822
N-({2-[benzyl(methyl)amino]-3-pyridinyl}methyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 42190621
N-{[2-(dimethylamino)-3-pyridinyl]methyl}-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 42244210
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide
CID 49176215

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 111539645) is N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is O=C(NCC1(O)CCC1)c1cccc(-n2cccn2)n1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is JAPHQCIGMVLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(15-10-14(20)6-2-7-14)11-4-1-5-12(17-11)18-9-3-8-16-18/h1,3-5,8-9,20H,2,6-7,10H2,(H,15,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 111539645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).