N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

C17H16N4O3 — CID 118064610

IUPACN-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESCC(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H16N4O3/c1-10(22)13-5-6-18-9-14(13)20-17(24)12-4-7-19-15(8-12)21-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyLAENBVFKZYAQJP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.28
Rot. Bonds5

About N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 118064610) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID118064610
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESCC(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H16N4O3/c1-10(22)13-5-6-18-9-14(13)20-17(24)12-4-7-19-15(8-12)21-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyLAENBVFKZYAQJP-UHFFFAOYSA-N
XLogP2.28
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-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-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 118064610) is N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is CC(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is LAENBVFKZYAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10(22)13-5-6-18-9-14(13)20-17(24)12-4-7-19-15(8-12)21-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 118064610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).