N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C16H16N4O3 — CID 121021632

IUPACN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCn1ccc2ccn(CCNC(=O)c3ccc(=O)[nH]c3)c(=O)c21
InChIInChI=1S/C16H16N4O3/c1-19-7-4-11-5-8-20(16(23)14(11)19)9-6-17-15(22)12-2-3-13(21)18-10-12/h2-5,7-8,10H,6,9H2,1H3,(H,17,22)(H,18,21)
InChIKeyRHVVHWCKNIGWIK-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 121021632) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID121021632
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCn1ccc2ccn(CCNC(=O)c3ccc(=O)[nH]c3)c(=O)c21
InChIInChI=1S/C16H16N4O3/c1-19-7-4-11-5-8-20(16(23)14(11)19)9-6-17-15(22)12-2-3-13(21)18-10-12/h2-5,7-8,10H,6,9H2,1H3,(H,17,22)(H,18,21)
InChIKeyRHVVHWCKNIGWIK-UHFFFAOYSA-N
XLogP0.46
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 121021632) is N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cn1ccc2ccn(CCNC(=O)c3ccc(=O)[nH]c3)c(=O)c21.
What is the InChIKey of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RHVVHWCKNIGWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-19-7-4-11-5-8-20(16(23)14(11)19)9-6-17-15(22)12-2-3-13(21)18-10-12/h2-5,7-8,10H,6,9H2,1H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121021632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).