N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C18H18ClN3O2 — CID 53134407

IUPACN-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(C)c(Cl)c3)n2C)c1=O
InChIInChI=1S/C18H18ClN3O2/c1-4-22-8-7-15-13(18(22)24)10-16(21(15)3)17(23)20-12-6-5-11(2)14(19)9-12/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyZOGSWNUZNHXXAF-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.57
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134407) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134407
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(C)c(Cl)c3)n2C)c1=O
InChIInChI=1S/C18H18ClN3O2/c1-4-22-8-7-15-13(18(22)24)10-16(21(15)3)17(23)20-12-6-5-11(2)14(19)9-12/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyZOGSWNUZNHXXAF-UHFFFAOYSA-N
XLogP3.57
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134440
N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134408
N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42209042
2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398408
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979400
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
N-cyclopropyl-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 46395663
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490113
N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683329
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17416732

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134407) is N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3ccc(C)c(Cl)c3)n2C)c1=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZOGSWNUZNHXXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-4-22-8-7-15-13(18(22)24)10-16(21(15)3)17(23)20-12-6-5-11(2)14(19)9-12/h5-10H,4H2,1-3H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).