N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide

C28H22ClN5O5 — CID 135392018

IUPACN-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(=O)n(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C28H22ClN5O5/c1-16(35)31-22-10-8-18(13-21(22)29)27(38)33-24-14-17(26(30)37)7-11-23(24)32-28(39)19-9-12-25(36)34(15-19)20-5-3-2-4-6-20/h2-15H,1H3,(H2,30,37)(H,31,35)(H,32,39)(H,33,38)
InChIKeyCVZPRFFJVHGWPM-UHFFFAOYSA-N
MW543.97 g/mol
LogP4.05
Rot. Bonds7

About N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide

N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 135392018) has the molecular formula C28H22ClN5O5 and a molecular weight of 543.97 g/mol. Its IUPAC name is N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID135392018
Molecular FormulaC28H22ClN5O5
Molecular Weight543.97 g/mol
Exact Mass543.13
IUPAC NameN-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(=O)n(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C28H22ClN5O5/c1-16(35)31-22-10-8-18(13-21(22)29)27(38)33-24-14-17(26(30)37)7-11-23(24)32-28(39)19-9-12-25(36)34(15-19)20-5-3-2-4-6-20/h2-15H,1H3,(H2,30,37)(H,31,35)(H,32,39)(H,33,38)
InChIKeyCVZPRFFJVHGWPM-UHFFFAOYSA-N
XLogP4.05
TPSA152.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.97
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 146096937
3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 141457537
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
3-chloro-4-(2-oxo-1-pyridinyl)benzamide
CID 67481316
4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid
CID 67056853
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
4-acetamido-3-chlorobenzoate
CID 6920708
3,4-diacetamidobenzoic acid
CID 2735923
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
CID 167473354

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide (CID 135392018) is N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(=O)n(-c3ccccc3)c2)cc1Cl.
What is the InChIKey of N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is CVZPRFFJVHGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O5/c1-16(35)31-22-10-8-18(13-21(22)29)27(38)33-24-14-17(26(30)37)7-11-23(24)32-28(39)19-9-12-25(36)34(15-19)20-5-3-2-4-6-20/h2-15H,1H3,(H2,30,37)(H,31,35)(H,32,39)(H,33,38).
What are the key properties of N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide?
N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 543.97 g/mol, XLogP of 4.05, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 135392018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).