N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C21H22ClN5O3 — CID 166381629

IUPACN-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc(=O)cc(Cl)[nH]2)CC1NC(=O)c1cccn2nccc12
InChIInChI=1S/C21H22ClN5O3/c1-21(2)12(11-23-20(30)15-9-13(28)10-18(22)25-15)8-17(21)26-19(29)14-4-3-7-27-16(14)5-6-24-27/h3-7,9-10,12,17H,8,11H2,1-2H3,(H,23,30)(H,25,28)(H,26,29)
InChIKeyWDDREGIOUPWXLY-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.25
Rot. Bonds5

About N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 166381629) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID166381629
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC NameN-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc(=O)cc(Cl)[nH]2)CC1NC(=O)c1cccn2nccc12
InChIInChI=1S/C21H22ClN5O3/c1-21(2)12(11-23-20(30)15-9-13(28)10-18(22)25-15)8-17(21)26-19(29)14-4-3-7-27-16(14)5-6-24-27/h3-7,9-10,12,17H,8,11H2,1-2H3,(H,23,30)(H,25,28)(H,26,29)
InChIKeyWDDREGIOUPWXLY-UHFFFAOYSA-N
XLogP2.25
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381658
N-[3-[[(3-bromo-5-hydroxybenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381634
N-[2,2-dimethyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381671
N-[3-[[(2-aminopyrimidine-5-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381685
N-[3-[[(5-iodothiophene-3-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381608
N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381719
N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide
CID 166381598
N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381699
N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381623
prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate
CID 166381631
N-(2-ethyl-2-methylcyclopropyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166259811
N-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251070

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 166381629) is N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is CC1(C)C(CNC(=O)c2cc(=O)cc(Cl)[nH]2)CC1NC(=O)c1cccn2nccc12.
What is the InChIKey of N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is WDDREGIOUPWXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-21(2)12(11-23-20(30)15-9-13(28)10-18(22)25-15)8-17(21)26-19(29)14-4-3-7-27-16(14)5-6-24-27/h3-7,9-10,12,17H,8,11H2,1-2H3,(H,23,30)(H,25,28)(H,26,29).
What are the key properties of N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 166381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).