N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide

C16H21N5O2 — CID 162658960

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)
InChIKeyZKCUEAJARGYWOA-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.43
Rot. Bonds4

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide (PubChem CID 162658960) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide
PubChem CID162658960
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)
InChIKeyZKCUEAJARGYWOA-UHFFFAOYSA-N
XLogP2.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
CID 162647791
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
CID 162645985
propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
CID 162647793
4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
CID 162649980
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide
CID 162654118
2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51101511
(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide
CID 153835404
N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 164634881
(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide
CID 164642202
5-fluoro-1-(2-methoxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3a,7a-dihydroindole-6-carboxamide
CID 154636651
3-amino-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4,4-difluoro-2-(2-methoxyethyliminomethyl)but-2-enamide
CID 174072575
(4-(6-((6-Methylpyridin-2-yl)amino)pyridazin-3-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 44070727

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide (CID 162658960) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide?
The InChIKey is ZKCUEAJARGYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide is sourced from PubChem (CID 162658960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).