N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide

C19H25N5O2 — CID 124753102

IUPACN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESCc1c([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cnn1C
InChIInChI=1S/C19H25N5O2/c1-13(16-12-21-23(3)14(16)2)22-18(25)15-7-10-24(11-8-15)19(26)17-6-4-5-9-20-17/h4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyLGZZCTJUUCZNLG-CYBMUJFWSA-N
MW355.44 g/mol
LogP1.85
Rot. Bonds4

About N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 124753102) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
PubChem CID124753102
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESCc1c([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cnn1C
InChIInChI=1S/C19H25N5O2/c1-13(16-12-21-23(3)14(16)2)22-18(25)15-7-10-24(11-8-15)19(26)17-6-4-5-9-20-17/h4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyLGZZCTJUUCZNLG-CYBMUJFWSA-N
XLogP1.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide (CID 124753102) is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide is Cc1c([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cnn1C.
What is the InChIKey of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LGZZCTJUUCZNLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(16-12-21-23(3)14(16)2)22-18(25)15-7-10-24(11-8-15)19(26)17-6-4-5-9-20-17/h4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H,22,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 124753102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).