2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C17H15F2N5O — CID 66553437

IUPAC2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NCc3cc(F)ccc3F)c2)cn1
InChIInChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)10-5-14(16(20)21-6-10)17(25)22-7-11-4-13(18)2-3-15(11)19/h2-6,8-9H,7H2,1H3,(H2,20,21)(H,22,25)
InChIKeySOTZRVONPWMIOA-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 66553437) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID66553437
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NCc3cc(F)ccc3F)c2)cn1
InChIInChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)10-5-14(16(20)21-6-10)17(25)22-7-11-4-13(18)2-3-15(11)19/h2-6,8-9H,7H2,1H3,(H2,20,21)(H,22,25)
InChIKeySOTZRVONPWMIOA-UHFFFAOYSA-N
XLogP2.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-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-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 66553437) is 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NCc3cc(F)ccc3F)c2)cn1.
What is the InChIKey of 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is SOTZRVONPWMIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)10-5-14(16(20)21-6-10)17(25)22-7-11-4-13(18)2-3-15(11)19/h2-6,8-9H,7H2,1H3,(H2,20,21)(H,22,25).
What are the key properties of 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66553437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).