N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide

C16H17N5O3 — CID 119052857

IUPACN-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C16H17N5O3/c1-10(22)20-12-3-2-6-17-15(12)21-16(23)13-7-19-14(8-18-13)24-9-11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,22)(H,17,21,23)
InChIKeyXJWVZOQWIFILIW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.87
Rot. Bonds6

About N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide

N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 119052857) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID119052857
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C16H17N5O3/c1-10(22)20-12-3-2-6-17-15(12)21-16(23)13-7-19-14(8-18-13)24-9-11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,22)(H,17,21,23)
InChIKeyXJWVZOQWIFILIW-UHFFFAOYSA-N
XLogP1.87
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-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-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 119052857) is N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide is CC(=O)Nc1cccnc1NC(=O)c1cnc(OCC2CC2)cn1.
What is the InChIKey of N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is XJWVZOQWIFILIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10(22)20-12-3-2-6-17-15(12)21-16(23)13-7-19-14(8-18-13)24-9-11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,22)(H,17,21,23).
What are the key properties of N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-pyridinyl)-5-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 119052857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).