N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide

C16H19N3O2S — CID 74237314

IUPACN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
SMILESO=C(C1CNCCO1)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C16H19N3O2S/c20-16(15-9-18-5-6-21-15)19(11-14-3-7-22-12-14)10-13-2-1-4-17-8-13/h1-4,7-8,12,15,18H,5-6,9-11H2
InChIKeyZEXRLKUTMMKQPE-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.66
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide

N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide (PubChem CID 74237314) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
PubChem CID74237314
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
SMILESO=C(C1CNCCO1)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C16H19N3O2S/c20-16(15-9-18-5-6-21-15)19(11-14-3-7-22-12-14)10-13-2-1-4-17-8-13/h1-4,7-8,12,15,18H,5-6,9-11H2
InChIKeyZEXRLKUTMMKQPE-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 95724930
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119759596
N-cyclopropyl-2-morpholin-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 66428274
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
CID 97280028
4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119059655
N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 119875113
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124887400
5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 21046141
(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
CID 129343717
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide (CID 74237314) is N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide is O=C(C1CNCCO1)N(Cc1cccnc1)Cc1ccsc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The InChIKey is ZEXRLKUTMMKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(15-9-18-5-6-21-15)19(11-14-3-7-22-12-14)10-13-2-1-4-17-8-13/h1-4,7-8,12,15,18H,5-6,9-11H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 74237314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).