(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide

C19H23N3O3S — CID 99618971

IUPAC(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
SMILESO=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C19H23N3O3S/c23-19(22-6-7-24-17(11-22)16-4-8-26-13-16)21-10-15-3-5-20-18(9-15)25-12-14-1-2-14/h3-5,8-9,13-14,17H,1-2,6-7,10-12H2,(H,21,23)/t17-/m0/s1
InChIKeyFDEQKCARIDZKOK-KRWDZBQOSA-N
MW373.48 g/mol
LogP3.21
Rot. Bonds6

About (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide

(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 99618971) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID99618971
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
SMILESO=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C19H23N3O3S/c23-19(22-6-7-24-17(11-22)16-4-8-26-13-16)21-10-15-3-5-20-18(9-15)25-12-14-1-2-14/h3-5,8-9,13-14,17H,1-2,6-7,10-12H2,(H,21,23)/t17-/m0/s1
InChIKeyFDEQKCARIDZKOK-KRWDZBQOSA-N
XLogP3.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
CID 126788834
(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98161909
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402914
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120637241
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 120533579

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide (CID 99618971) is (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide is O=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@H](c2ccsc2)C1.
What is the InChIKey of (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is FDEQKCARIDZKOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(22-6-7-24-17(11-22)16-4-8-26-13-16)21-10-15-3-5-20-18(9-15)25-12-14-1-2-14/h3-5,8-9,13-14,17H,1-2,6-7,10-12H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 99618971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).