N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide

C24H21ClN2O4 — CID 57388194

IUPACN-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2cc(Cl)ccn2)cc1OC
InChIInChI=1S/C24H21ClN2O4/c1-30-19-9-8-15(12-20(19)31-2)22(28)24(16-6-4-3-5-7-16)14-18(24)23(29)27-21-13-17(25)10-11-26-21/h3-13,18H,14H2,1-2H3,(H,26,27,29)
InChIKeyJZIFVUPFYQYDBV-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.53
Rot. Bonds7

About N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide

N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 57388194) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID57388194
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2cc(Cl)ccn2)cc1OC
InChIInChI=1S/C24H21ClN2O4/c1-30-19-9-8-15(12-20(19)31-2)22(28)24(16-6-4-3-5-7-16)14-18(24)23(29)27-21-13-17(25)10-11-26-21/h3-13,18H,14H2,1-2H3,(H,26,27,29)
InChIKeyJZIFVUPFYQYDBV-UHFFFAOYSA-N
XLogP4.53
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 57388730
2-(3,4-dimethoxybenzoyl)-2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 57388734
2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 57388159
cis-(1R,2S)-N-(4-chloro-2-pyridinyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 67473969
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67473925
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 4587396
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
(1S)-N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7037543
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 2837311

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide (CID 57388194) is N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2cc(Cl)ccn2)cc1OC.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JZIFVUPFYQYDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-30-19-9-8-15(12-20(19)31-2)22(28)24(16-6-4-3-5-7-16)14-18(24)23(29)27-21-13-17(25)10-11-26-21/h3-13,18H,14H2,1-2H3,(H,26,27,29).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide?
N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57388194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).