N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

C24H29N5O — CID 25375251

IUPACN-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C24H29N5O/c1-18(2)20-7-5-19(6-8-20)17-28-14-10-22(11-15-28)29-23(9-13-26-29)27-24(30)21-4-3-12-25-16-21/h3-9,12-13,16,18,22H,10-11,14-15,17H2,1-2H3,(H,27,30)
InChIKeySEGPUDBCAIALBM-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.49
Rot. Bonds6

About N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 25375251) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID25375251
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C24H29N5O/c1-18(2)20-7-5-19(6-8-20)17-28-14-10-22(11-15-28)29-23(9-13-26-29)27-24(30)21-4-3-12-25-16-21/h3-9,12-13,16,18,22H,10-11,14-15,17H2,1-2H3,(H,27,30)
InChIKeySEGPUDBCAIALBM-UHFFFAOYSA-N
XLogP4.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42194902
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
2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45210189
N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 25294061
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
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-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
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
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (CID 25375251) is N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is CC(C)c1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is SEGPUDBCAIALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18(2)20-7-5-19(6-8-20)17-28-14-10-22(11-15-28)29-23(9-13-26-29)27-24(30)21-4-3-12-25-16-21/h3-9,12-13,16,18,22H,10-11,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25375251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).