N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C20H22ClN3O2 — CID 53134528

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)Cn1ccc2c(cc(C(=O)NCc3ccccc3Cl)n2C)c1=O
InChIInChI=1S/C20H22ClN3O2/c1-13(2)12-24-9-8-17-15(20(24)26)10-18(23(17)3)19(25)22-11-14-6-4-5-7-16(14)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)
InChIKeyDQRUCVLWHKXJEP-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.58
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134528) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134528
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)Cn1ccc2c(cc(C(=O)NCc3ccccc3Cl)n2C)c1=O
InChIInChI=1S/C20H22ClN3O2/c1-13(2)12-24-9-8-17-15(20(24)26)10-18(23(17)3)19(25)22-11-14-6-4-5-7-16(14)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)
InChIKeyDQRUCVLWHKXJEP-UHFFFAOYSA-N
XLogP3.58
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 46395663
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CID 3225317
N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217324
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
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1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
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CID 71822183
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 110730355
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CID 110851373
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293243
N-[(2-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648110

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134528) is N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CC(C)Cn1ccc2c(cc(C(=O)NCc3ccccc3Cl)n2C)c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DQRUCVLWHKXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13(2)12-24-9-8-17-15(20(24)26)10-18(23(17)3)19(25)22-11-14-6-4-5-7-16(14)21/h4-10,13H,11-12H2,1-3H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).