2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide

C21H18N6O — CID 71060755

IUPAC2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cnccc1NC(=O)c1cc(-c2ccc(-n3cccn3)cc2)cnc1N
InChIInChI=1S/C21H18N6O/c1-14-12-23-9-7-19(14)26-21(28)18-11-16(13-24-20(18)22)15-3-5-17(6-4-15)27-10-2-8-25-27/h2-13H,1H3,(H2,22,24)(H,23,26,28)
InChIKeyTYXXLNSGWOQLJI-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.47
Rot. Bonds4

About 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide

2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 71060755) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide
PubChem CID71060755
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cnccc1NC(=O)c1cc(-c2ccc(-n3cccn3)cc2)cnc1N
InChIInChI=1S/C21H18N6O/c1-14-12-23-9-7-19(14)26-21(28)18-11-16(13-24-20(18)22)15-3-5-17(6-4-15)27-10-2-8-25-27/h2-13H,1H3,(H2,22,24)(H,23,26,28)
InChIKeyTYXXLNSGWOQLJI-UHFFFAOYSA-N
XLogP3.47
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide (CID 71060755) is 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide is Cc1cnccc1NC(=O)c1cc(-c2ccc(-n3cccn3)cc2)cnc1N.
What is the InChIKey of 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is TYXXLNSGWOQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-14-12-23-9-7-19(14)26-21(28)18-11-16(13-24-20(18)22)15-3-5-17(6-4-15)27-10-2-8-25-27/h2-13H,1H3,(H2,22,24)(H,23,26,28).
What are the key properties of 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-4-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 71060755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).