N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide

C14H18N6O2 — CID 95750628

IUPACN-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCO[C@H](Cn2cncn2)C1)Nc1cccnc1
InChIInChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)/t13-/m0/s1
InChIKeyXDMMUAUNKJNHNN-ZDUSSCGKSA-N
MW302.34 g/mol
LogP0.01
Rot. Bonds5

About N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide

N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95750628) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95750628
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCO[C@H](Cn2cncn2)C1)Nc1cccnc1
InChIInChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)/t13-/m0/s1
InChIKeyXDMMUAUNKJNHNN-ZDUSSCGKSA-N
XLogP0.01
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349962
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349388
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610094
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802758
N-methyl-N-[(1R)-1-phenylethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 100843546
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 98761733
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95326714
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide
CID 96510603
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610060
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802736

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95750628) is N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is O=C(CN1CCO[C@H](Cn2cncn2)C1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is XDMMUAUNKJNHNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)/t13-/m0/s1.
What are the key properties of N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 302.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95750628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).