N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C20H20ClN3O — CID 86983262

IUPACN-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Cl)c2)c(C)n1Cc1ccccn1
InChIInChI=1S/C20H20ClN3O/c1-14-10-19(15(2)24(14)13-18-8-3-4-9-22-18)20(25)23-12-16-6-5-7-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyKCMLQXOMZZDCTI-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.13
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 86983262) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID86983262
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Cl)c2)c(C)n1Cc1ccccn1
InChIInChI=1S/C20H20ClN3O/c1-14-10-19(15(2)24(14)13-18-8-3-4-9-22-18)20(25)23-12-16-6-5-7-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyKCMLQXOMZZDCTI-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86820807
N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78876055
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119996967
N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 43073082
2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355
N-[3-(diethylaminomethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78865014
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 75447829
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871270

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 86983262) is N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2cccc(Cl)c2)c(C)n1Cc1ccccn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is KCMLQXOMZZDCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-10-19(15(2)24(14)13-18-8-3-4-9-22-18)20(25)23-12-16-6-5-7-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 86983262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).