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

C18H18ClN3O3 — CID 53134439

IUPACN-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(OC)c(Cl)c3)n2C)c1=O
InChIInChI=1S/C18H18ClN3O3/c1-4-22-8-7-14-12(18(22)24)10-15(21(14)2)17(23)20-11-5-6-16(25-3)13(19)9-11/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyKPMIHFQCLNDPQF-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.27
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134439) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134439
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(OC)c(Cl)c3)n2C)c1=O
InChIInChI=1S/C18H18ClN3O3/c1-4-22-8-7-14-12(18(22)24)10-15(21(14)2)17(23)20-11-5-6-16(25-3)13(19)9-11/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyKPMIHFQCLNDPQF-UHFFFAOYSA-N
XLogP3.27
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134439) is N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3ccc(OC)c(Cl)c3)n2C)c1=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is KPMIHFQCLNDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-4-22-8-7-14-12(18(22)24)10-15(21(14)2)17(23)20-11-5-6-16(25-3)13(19)9-11/h5-10H,4H2,1-3H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).