N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide

C12H17N3O2 — CID 115576612

IUPACN-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)c1cccnc1
InChIInChI=1S/C12H17N3O2/c1-10(11-3-2-4-13-9-11)14-12(16)15-5-7-17-8-6-15/h2-4,9-10H,5-8H2,1H3,(H,14,16)
InChIKeyQBYDMVKTJLALHD-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.18
Rot. Bonds2

About N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide

N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide (PubChem CID 115576612) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
PubChem CID115576612
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)c1cccnc1
InChIInChI=1S/C12H17N3O2/c1-10(11-3-2-4-13-9-11)14-12(16)15-5-7-17-8-6-15/h2-4,9-10H,5-8H2,1H3,(H,14,16)
InChIKeyQBYDMVKTJLALHD-UHFFFAOYSA-N
XLogP1.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-morpholin-4-ylpropyl]-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
CID 124878270
2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-[(1S)-1-pyridin-3-ylethyl]morpholine-4-sulfonamide
CID 94177903
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 98873092
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 124778179
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 41287111

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide (CID 115576612) is N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide is CC(NC(=O)N1CCOCC1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide?
The InChIKey is QBYDMVKTJLALHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10(11-3-2-4-13-9-11)14-12(16)15-5-7-17-8-6-15/h2-4,9-10H,5-8H2,1H3,(H,14,16).
What are the key properties of N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide?
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 115576612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).