N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C24H29N5O — CID 24790316

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)n1
InChIInChI=1S/C24H29N5O/c1-17-5-4-6-22(25-17)16-28-13-11-20(12-14-28)24(30)26-21-7-9-23(10-8-21)29-19(3)15-18(2)27-29/h4-10,15,20H,11-14,16H2,1-3H3,(H,26,30)
InChIKeyXGRSFJAYIQGPIO-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 24790316) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID24790316
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)n1
InChIInChI=1S/C24H29N5O/c1-17-5-4-6-22(25-17)16-28-13-11-20(12-14-28)24(30)26-21-7-9-23(10-8-21)29-19(3)15-18(2)27-29/h4-10,15,20H,11-14,16H2,1-3H3,(H,26,30)
InChIKeyXGRSFJAYIQGPIO-UHFFFAOYSA-N
XLogP4.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 24790316) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is XGRSFJAYIQGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-5-4-6-22(25-17)16-28-13-11-20(12-14-28)24(30)26-21-7-9-23(10-8-21)29-19(3)15-18(2)27-29/h4-10,15,20H,11-14,16H2,1-3H3,(H,26,30).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).