2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide

C23H25FN6O2 — CID 110085306

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESNc1nc(C2CCN(C(=O)Cn3cccn3)CC2)ccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C23H25FN6O2/c24-19-5-2-1-4-17(19)14-26-23(32)18-6-7-20(28-22(18)25)16-8-12-29(13-9-16)21(31)15-30-11-3-10-27-30/h1-7,10-11,16H,8-9,12-15H2,(H2,25,28)(H,26,32)
InChIKeyBWPYAFXLGACBPN-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide

2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 110085306) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID110085306
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESNc1nc(C2CCN(C(=O)Cn3cccn3)CC2)ccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C23H25FN6O2/c24-19-5-2-1-4-17(19)14-26-23(32)18-6-7-20(28-22(18)25)16-8-12-29(13-9-16)21(31)15-30-11-3-10-27-30/h1-7,10-11,16H,8-9,12-15H2,(H2,25,28)(H,26,32)
InChIKeyBWPYAFXLGACBPN-UHFFFAOYSA-N
XLogP2.34
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
CID 158871409
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 92640464
1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823308
2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110085277
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
1-(2-pyrazol-1-ylacetyl)piperidine-4-carbohydrazide
CID 63573929
1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 110132835
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143993
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
1-(7-phenyl-1,4-thiazepan-4-yl)-2-pyrazol-1-ylethanone
CID 90629468
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide (CID 110085306) is 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide is Nc1nc(C2CCN(C(=O)Cn3cccn3)CC2)ccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is BWPYAFXLGACBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c24-19-5-2-1-4-17(19)14-26-23(32)18-6-7-20(28-22(18)25)16-8-12-29(13-9-16)21(31)15-30-11-3-10-27-30/h1-7,10-11,16H,8-9,12-15H2,(H2,25,28)(H,26,32).
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110085306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).