(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

C22H25N5O — CID 125166444

IUPAC(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H25N5O/c1-16-20(17-9-4-3-5-10-17)25-26(2)21(16)24-22(28)27-14-7-6-12-19(27)18-11-8-13-23-15-18/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyGWLPFTPOZDRGGP-LJQANCHMSA-N
MW375.48 g/mol
LogP4.55
Rot. Bonds3

About (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 125166444) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID125166444
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H25N5O/c1-16-20(17-9-4-3-5-10-17)25-26(2)21(16)24-22(28)27-14-7-6-12-19(27)18-11-8-13-23-15-18/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyGWLPFTPOZDRGGP-LJQANCHMSA-N
XLogP4.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 118785958
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 97275123
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
CID 163002430
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 167774268
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide (CID 125166444) is (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide is Cc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is GWLPFTPOZDRGGP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-20(17-9-4-3-5-10-17)25-26(2)21(16)24-22(28)27-14-7-6-12-19(27)18-11-8-13-23-15-18/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3,(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 125166444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).