2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide

C23H21ClN4O3 — CID 66882749

IUPAC2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(-n2ccccc2=O)ccc1NC(=O)C1(C)CC1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H21ClN4O3/c1-14-11-16(28-10-4-3-5-20(28)29)7-8-18(14)26-22(31)23(2)12-17(23)21(30)27-19-9-6-15(24)13-25-19/h3-11,13,17H,12H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyCQOZGUYAXMWJLU-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.80
Rot. Bonds5

About 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 66882749) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID66882749
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(-n2ccccc2=O)ccc1NC(=O)C1(C)CC1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H21ClN4O3/c1-14-11-16(28-10-4-3-5-20(28)29)7-8-18(14)26-22(31)23(2)12-17(23)21(30)27-19-9-6-15(24)13-25-19/h3-11,13,17H,12H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyCQOZGUYAXMWJLU-UHFFFAOYSA-N
XLogP3.80
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2S)-2-N-(5-chloro-2-pyridinyl)-1-cyano-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 11698135
ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 142689547
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
CID 11226460
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783
trans-(1S,2S)-1-N-(4-chlorophenyl)-4-methylidene-2-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1,2-dicarboxamide
CID 11719574
N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
CID 11363623
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide
CID 58619664
[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[2-fluoro-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamoyl]cyclopropyl]methyl methanesulfonate
CID 87189304
(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate
CID 58748201
2-N-(5-chloro-2-pyridinyl)-1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878306
N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide
CID 69437743

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 66882749) is 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1(C)CC1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is CQOZGUYAXMWJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-14-11-16(28-10-4-3-5-20(28)29)7-8-18(14)26-22(31)23(2)12-17(23)21(30)27-19-9-6-15(24)13-25-19/h3-11,13,17H,12H2,1-2H3,(H,26,31)(H,25,27,30).
What are the key properties of 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 436.90 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 66882749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).