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

C17H15F2N5O — CID 66553439

IUPAC2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NCc3ccc(F)c(F)c3)c2)cn1
InChIInChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-5-13(16(20)21-7-11)17(25)22-6-10-2-3-14(18)15(19)4-10/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25)
InChIKeyTZZQTSKYERXRJO-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.27
Rot. Bonds4

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

2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 66553439) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID66553439
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NCc3ccc(F)c(F)c3)c2)cn1
InChIInChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-5-13(16(20)21-7-11)17(25)22-6-10-2-3-14(18)15(19)4-10/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25)
InChIKeyTZZQTSKYERXRJO-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

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Related Compounds

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CID 53252276
N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
N-(2,4-difluorophenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 1475775
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 25156794
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157359
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-4-fluoro-N-methyl-benzamide
CID 56951292
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66550111
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 66553511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 66553439) is 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NCc3ccc(F)c(F)c3)c2)cn1.
What is the InChIKey of 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is TZZQTSKYERXRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-5-13(16(20)21-7-11)17(25)22-6-10-2-3-14(18)15(19)4-10/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25).
What are the key properties of 2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3,4-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-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).