4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile

C13H18N4O — CID 113355148

IUPAC4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile
SMILESCC[C@@H](N)c1ccc(N2CCOC(C#N)C2)cn1
InChIInChI=1S/C13H18N4O/c1-2-12(15)13-4-3-10(8-16-13)17-5-6-18-11(7-14)9-17/h3-4,8,11-12H,2,5-6,9,15H2,1H3/t11?,12-/m1/s1
InChIKeyRNPUNLUWAZHUCN-PIJUOVFKSA-N
MW246.31 g/mol
LogP1.22
Rot. Bonds3

About 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile

4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile (PubChem CID 113355148) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile
PubChem CID113355148
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile
SMILESCC[C@@H](N)c1ccc(N2CCOC(C#N)C2)cn1
InChIInChI=1S/C13H18N4O/c1-2-12(15)13-4-3-10(8-16-13)17-5-6-18-11(7-14)9-17/h3-4,8,11-12H,2,5-6,9,15H2,1H3/t11?,12-/m1/s1
InChIKeyRNPUNLUWAZHUCN-PIJUOVFKSA-N
XLogP1.22
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 115939599
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
4-(3,4-diaminophenyl)morpholine-2-carbonitrile
CID 106750984
1-[6-(1-aminopropyl)-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 112584494
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile (CID 113355148) is 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile is CC[C@@H](N)c1ccc(N2CCOC(C#N)C2)cn1.
What is the InChIKey of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile?
The InChIKey is RNPUNLUWAZHUCN-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-12(15)13-4-3-10(8-16-13)17-5-6-18-11(7-14)9-17/h3-4,8,11-12H,2,5-6,9,15H2,1H3/t11?,12-/m1/s1.
What are the key properties of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile?
4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile is sourced from PubChem (CID 113355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).