(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C16H21N5O3 — CID 94795866

IUPAC(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H21N5O3/c1-12(24-9-14-4-2-3-7-23-14)16(22)20-13-5-6-15(18-8-13)21-11-17-10-19-21/h5-6,8,10-12,14H,2-4,7,9H2,1H3,(H,20,22)/t12-,14+/m0/s1
InChIKeySXLGOXXILXNUKA-GXTWGEPZSA-N
MW331.38 g/mol
LogP1.58
Rot. Bonds6

About (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 94795866) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID94795866
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H21N5O3/c1-12(24-9-14-4-2-3-7-23-14)16(22)20-13-5-6-15(18-8-13)21-11-17-10-19-21/h5-6,8,10-12,14H,2-4,7,9H2,1H3,(H,20,22)/t12-,14+/m0/s1
InChIKeySXLGOXXILXNUKA-GXTWGEPZSA-N
XLogP1.58
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 100905654
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 95153393
N-imidazo[1,2-a]pyrimidin-6-yl-2-(oxolan-2-ylmethoxy)propanamide
CID 126832682
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(4aS,8aR)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 95126743
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 167869416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 94795866) is (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is SXLGOXXILXNUKA-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-12(24-9-14-4-2-3-7-23-14)16(22)20-13-5-6-15(18-8-13)21-11-17-10-19-21/h5-6,8,10-12,14H,2-4,7,9H2,1H3,(H,20,22)/t12-,14+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 331.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 94795866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).