2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide

C21H23N5O — CID 95225385

IUPAC2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3cc(C(N)=O)ccn3)C2)cc1
InChIInChI=1S/C21H23N5O/c1-14-4-6-15(7-5-14)18-12-24-25-20(18)17-3-2-10-26(13-17)19-11-16(21(22)27)8-9-23-19/h4-9,11-12,17H,2-3,10,13H2,1H3,(H2,22,27)(H,24,25)/t17-/m0/s1
InChIKeyGDHFLYSIFGTQIM-KRWDZBQOSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds4

About 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide

2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 95225385) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID95225385
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3cc(C(N)=O)ccn3)C2)cc1
InChIInChI=1S/C21H23N5O/c1-14-4-6-15(7-5-14)18-12-24-25-20(18)17-3-2-10-26(13-17)19-11-16(21(22)27)8-9-23-19/h4-9,11-12,17H,2-3,10,13H2,1H3,(H2,22,27)(H,24,25)/t17-/m0/s1
InChIKeyGDHFLYSIFGTQIM-KRWDZBQOSA-N
XLogP3.26
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95216572
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95197091
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95223986
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97274690
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide (CID 95225385) is 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide is Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3cc(C(N)=O)ccn3)C2)cc1.
What is the InChIKey of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is GDHFLYSIFGTQIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-4-6-15(7-5-14)18-12-24-25-20(18)17-3-2-10-26(13-17)19-11-16(21(22)27)8-9-23-19/h4-9,11-12,17H,2-3,10,13H2,1H3,(H2,22,27)(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide?
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95225385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).