N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide

C18H22N4O2S — CID 99950839

IUPACN-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NC[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22N4O2S/c23-18(14-25-16-3-6-19-7-4-16)21-13-17(15-2-1-5-20-12-15)22-8-10-24-11-9-22/h1-7,12,17H,8-11,13-14H2,(H,21,23)/t17-/m0/s1
InChIKeyUGPJMJRPAAGAMP-KRWDZBQOSA-N
MW358.47 g/mol
LogP1.76
Rot. Bonds7

About N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide

N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 99950839) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID99950839
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NC[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22N4O2S/c23-18(14-25-16-3-6-19-7-4-16)21-13-17(15-2-1-5-20-12-15)22-8-10-24-11-9-22/h1-7,12,17H,8-11,13-14H2,(H,21,23)/t17-/m0/s1
InChIKeyUGPJMJRPAAGAMP-KRWDZBQOSA-N
XLogP1.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide (CID 99950839) is N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NC[C@@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is UGPJMJRPAAGAMP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-18(14-25-16-3-6-19-7-4-16)21-13-17(15-2-1-5-20-12-15)22-8-10-24-11-9-22/h1-7,12,17H,8-11,13-14H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 358.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 99950839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).