N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

C16H21N5O2 — CID 95191432

IUPACN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-11-8-14(20-19-11)16(23)18-9-12-4-2-6-17-15(12)21-7-3-5-13(22)10-21/h2,4,6,8,13,22H,3,5,7,9-10H2,1H3,(H,18,23)(H,19,20)/t13-/m0/s1
InChIKeyIKUDINFZWYACTC-ZDUSSCGKSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds4

About N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 95191432) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID95191432
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-11-8-14(20-19-11)16(23)18-9-12-4-2-6-17-15(12)21-7-3-5-13(22)10-21/h2,4,6,8,13,22H,3,5,7,9-10H2,1H3,(H,18,23)(H,19,20)/t13-/m0/s1
InChIKeyIKUDINFZWYACTC-ZDUSSCGKSA-N
XLogP1.00
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42305622
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
CID 95219026

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 95191432) is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)n[nH]1.
What is the InChIKey of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is IKUDINFZWYACTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-8-14(20-19-11)16(23)18-9-12-4-2-6-17-15(12)21-7-3-5-13(22)10-21/h2,4,6,8,13,22H,3,5,7,9-10H2,1H3,(H,18,23)(H,19,20)/t13-/m0/s1.
What are the key properties of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95191432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).