2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

C22H18N4O3 — CID 118064729

IUPAC2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)C1
InChIInChI=1S/C22H18N4O3/c27-17-10-16(11-17)22(29)26-20-12-15(6-9-24-20)21(28)25-19-13-23-8-7-18(19)14-4-2-1-3-5-14/h1-9,12-13,16H,10-11H2,(H,25,28)(H,24,26,29)
InChIKeyUMNFRCLYQORRTL-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.31
Rot. Bonds5

About 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118064729) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118064729
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)C1
InChIInChI=1S/C22H18N4O3/c27-17-10-16(11-17)22(29)26-20-12-15(6-9-24-20)21(28)25-19-13-23-8-7-18(19)14-4-2-1-3-5-14/h1-9,12-13,16H,10-11H2,(H,25,28)(H,24,26,29)
InChIKeyUMNFRCLYQORRTL-UHFFFAOYSA-N
XLogP3.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-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

2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
CID 141452842
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118065427
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (CID 118064729) is 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is O=C1CC(C(=O)Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)C1.
What is the InChIKey of 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is UMNFRCLYQORRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-17-10-16(11-17)22(29)26-20-12-15(6-9-24-20)21(28)25-19-13-23-8-7-18(19)14-4-2-1-3-5-14/h1-9,12-13,16H,10-11H2,(H,25,28)(H,24,26,29).
What are the key properties of 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118064729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).