(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide

C14H17ClN6O2 — CID 129333058

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
SMILESCCn1cnnc1[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)CCO1
InChIInChI=1S/C14H17ClN6O2/c1-2-20-9-17-19-13(20)11-8-21(5-6-23-11)14(22)18-12-4-3-10(15)7-16-12/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,16,18,22)/t11-/m0/s1
InChIKeyLROLRBXZZDSIFE-NSHDSACASA-N
MW336.78 g/mol
LogP1.95
Rot. Bonds3

About (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide (PubChem CID 129333058) has the molecular formula C14H17ClN6O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
PubChem CID129333058
Molecular FormulaC14H17ClN6O2
Molecular Weight336.78 g/mol
Exact Mass336.11
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
SMILESCCn1cnnc1[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)CCO1
InChIInChI=1S/C14H17ClN6O2/c1-2-20-9-17-19-13(20)11-8-21(5-6-23-11)14(22)18-12-4-3-10(15)7-16-12/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,16,18,22)/t11-/m0/s1
InChIKeyLROLRBXZZDSIFE-NSHDSACASA-N
XLogP1.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338513
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
2,3-dihydro-1-benzofuran-3-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128968193
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333213
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide (CID 129333058) is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide is CCn1cnnc1[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)CCO1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
The InChIKey is LROLRBXZZDSIFE-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN6O2/c1-2-20-9-17-19-13(20)11-8-21(5-6-23-11)14(22)18-12-4-3-10(15)7-16-12/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,16,18,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129333058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).