1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide

C29H28ClFN4O5 — CID 66882286

IUPAC1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1C(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C29H28ClFN4O5/c30-18-6-8-19(9-7-18)32-27(38)24-25(26(24)29(40)34-12-3-4-17(15-34)16-36)28(39)33-22-11-10-20(14-21(22)31)35-13-2-1-5-23(35)37/h1-2,5-11,13-14,17,24-26,36H,3-4,12,15-16H2,(H,32,38)(H,33,39)
InChIKeyVHASPAMLZNJETH-UHFFFAOYSA-N
MW567.02 g/mol
LogP3.30
Rot. Bonds7

About 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide (PubChem CID 66882286) has the molecular formula C29H28ClFN4O5 and a molecular weight of 567.02 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide
PubChem CID66882286
Molecular FormulaC29H28ClFN4O5
Molecular Weight567.02 g/mol
Exact Mass566.17
IUPAC Name1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1C(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C29H28ClFN4O5/c30-18-6-8-19(9-7-18)32-27(38)24-25(26(24)29(40)34-12-3-4-17(15-34)16-36)28(39)33-22-11-10-20(14-21(22)31)35-13-2-1-5-23(35)37/h1-2,5-11,13-14,17,24-26,36H,3-4,12,15-16H2,(H,32,38)(H,33,39)
InChIKeyVHASPAMLZNJETH-UHFFFAOYSA-N
XLogP3.30
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.02
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide 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

(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339
cis-(2S,3R)-3-N-(4-chlorophenyl)-1-N-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-methylcyclopropane-1,2,3-tricarboxamide
CID 143223851
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 66881688
methyl (3R,4R)-1-(2,2-difluoroethyl)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 59800165
trans-(1S,2S)-4-(ethylsulfonylamino)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-N-(4-methylphenyl)cyclopentane-1,2-dicarboxamide
CID 71025416
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-4-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 44582222
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 91005801
N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882554
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-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
CID 143223901

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide (CID 66882286) is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide is O=C(Nc1ccc(Cl)cc1)C1C(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1C(=O)N1CCCC(CO)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is VHASPAMLZNJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFN4O5/c30-18-6-8-19(9-7-18)32-27(38)24-25(26(24)29(40)34-12-3-4-17(15-34)16-36)28(39)33-22-11-10-20(14-21(22)31)35-13-2-1-5-23(35)37/h1-2,5-11,13-14,17,24-26,36H,3-4,12,15-16H2,(H,32,38)(H,33,39).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 567.02 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 66882286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).