N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

C20H22N6O — CID 42194902

IUPACN-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1cccnc1
InChIInChI=1S/C20H22N6O/c27-20(17-2-1-8-22-14-17)24-19-5-11-23-26(19)18-6-12-25(13-7-18)15-16-3-9-21-10-4-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,24,27)
InChIKeyYDLLLVJTDJZHJK-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.76
Rot. Bonds5

About N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 42194902) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID42194902
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1cccnc1
InChIInChI=1S/C20H22N6O/c27-20(17-2-1-8-22-14-17)24-19-5-11-23-26(19)18-6-12-25(13-7-18)15-16-3-9-21-10-4-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,24,27)
InChIKeyYDLLLVJTDJZHJK-UHFFFAOYSA-N
XLogP2.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-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

Related Compounds

N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 25375251
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42567771
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 25294061
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42593765
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25291943
2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
CID 91828352
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (CID 42194902) is N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is O=C(Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1cccnc1.
What is the InChIKey of N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is YDLLLVJTDJZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(17-2-1-8-22-14-17)24-19-5-11-23-26(19)18-6-12-25(13-7-18)15-16-3-9-21-10-4-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,24,27).
What are the key properties of N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42194902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).