(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide

C16H23N7O — CID 97076085

IUPAC(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NCCNc2ccccn2)C1
InChIInChI=1S/C16H23N7O/c1-22-12-20-21-15(22)13-5-4-10-23(11-13)16(24)19-9-8-18-14-6-2-3-7-17-14/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,17,18)(H,19,24)/t13-/m1/s1
InChIKeyQIYOLXSEDLTHBQ-CYBMUJFWSA-N
MW329.41 g/mol
LogP1.21
Rot. Bonds5

About (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide (PubChem CID 97076085) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide
PubChem CID97076085
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NCCNc2ccccn2)C1
InChIInChI=1S/C16H23N7O/c1-22-12-20-21-15(22)13-5-4-10-23(11-13)16(24)19-9-8-18-14-6-2-3-7-17-14/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,17,18)(H,19,24)/t13-/m1/s1
InChIKeyQIYOLXSEDLTHBQ-CYBMUJFWSA-N
XLogP1.21
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 97076083
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
1-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 71897846
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95129687
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97073252
(3S)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95134206
(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 52536774
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97074016
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 97089224

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide (CID 97076085) is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide is Cn1cnnc1[C@@H]1CCCN(C(=O)NCCNc2ccccn2)C1.
What is the InChIKey of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is QIYOLXSEDLTHBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N7O/c1-22-12-20-21-15(22)13-5-4-10-23(11-13)16(24)19-9-8-18-14-6-2-3-7-17-14/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,17,18)(H,19,24)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide?
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97076085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).