3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide

C21H24N4O3 — CID 136519786

IUPAC3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1
InChIInChI=1S/C21H24N4O3/c26-19(24-18-7-1-2-10-22-18)16-5-3-6-17(15-16)23-20(27)21(8-4-9-21)25-11-13-28-14-12-25/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,23,27)(H,22,24,26)
InChIKeyHXVFDYCBKKFPGW-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.53
Rot. Bonds5

About 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide

3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide (PubChem CID 136519786) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide
PubChem CID136519786
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1
InChIInChI=1S/C21H24N4O3/c26-19(24-18-7-1-2-10-22-18)16-5-3-6-17(15-16)23-20(27)21(8-4-9-21)25-11-13-28-14-12-25/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,23,27)(H,22,24,26)
InChIKeyHXVFDYCBKKFPGW-UHFFFAOYSA-N
XLogP2.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 120799452
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870520
4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
CID 144714180
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
3-nitro-N-[3-(pyridin-2-ylcarbamoyl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 60617220
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 60617260
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 10566847
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-N-[3-(pyridin-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 154833350
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844

Frequently Asked Questions

What is the IUPAC name of 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide (CID 136519786) is 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1.
What is the InChIKey of 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide?
The InChIKey is HXVFDYCBKKFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(24-18-7-1-2-10-22-18)16-5-3-6-17(15-16)23-20(27)21(8-4-9-21)25-11-13-28-14-12-25/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,23,27)(H,22,24,26).
What are the key properties of 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide?
3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 136519786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).