N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C23H27N5O — CID 24793026

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)n1
InChIInChI=1S/C23H27N5O/c1-17-15-18(2)28(26-17)22-8-6-20(7-9-22)25-23(29)19-10-13-27(14-11-19)16-21-5-3-4-12-24-21/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,25,29)
InChIKeyBJGFOJZDMCXONH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.73
Rot. Bonds5

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24793026) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24793026
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)n1
InChIInChI=1S/C23H27N5O/c1-17-15-18(2)28(26-17)22-8-6-20(7-9-22)25-23(29)19-10-13-27(14-11-19)16-21-5-3-4-12-24-21/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,25,29)
InChIKeyBJGFOJZDMCXONH-UHFFFAOYSA-N
XLogP3.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.73
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-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 24793026) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BJGFOJZDMCXONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-15-18(2)28(26-17)22-8-6-20(7-9-22)25-23(29)19-10-13-27(14-11-19)16-21-5-3-4-12-24-21/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.73, 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-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24793026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).