2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

C17H17ClN6O2 — CID 71062476

IUPAC2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOCCn1cc(-c2cnc(N)c(C(=O)Nc3ccncc3Cl)c2)cn1
InChIInChI=1S/C17H17ClN6O2/c1-26-5-4-24-10-12(8-22-24)11-6-13(16(19)21-7-11)17(25)23-15-2-3-20-9-14(15)18/h2-3,6-10H,4-5H2,1H3,(H2,19,21)(H,20,23,25)
InChIKeyIGJNKGGEJHEBLW-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.47
Rot. Bonds6

About 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 71062476) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID71062476
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOCCn1cc(-c2cnc(N)c(C(=O)Nc3ccncc3Cl)c2)cn1
InChIInChI=1S/C17H17ClN6O2/c1-26-5-4-24-10-12(8-22-24)11-6-13(16(19)21-7-11)17(25)23-15-2-3-20-9-14(15)18/h2-3,6-10H,4-5H2,1H3,(H2,19,21)(H,20,23,25)
InChIKeyIGJNKGGEJHEBLW-UHFFFAOYSA-N
XLogP2.47
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]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 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide (CID 71062476) is 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide is COCCn1cc(-c2cnc(N)c(C(=O)Nc3ccncc3Cl)c2)cn1.
What is the InChIKey of 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is IGJNKGGEJHEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-26-5-4-24-10-12(8-22-24)11-6-13(16(19)21-7-11)17(25)23-15-2-3-20-9-14(15)18/h2-3,6-10H,4-5H2,1H3,(H2,19,21)(H,20,23,25).
What are the key properties of 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-pyridinyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71062476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).