6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile

C20H24N4O — CID 133364280

IUPAC6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCCC(Nc1ccc(C#N)cn1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H24N4O/c1-2-18(23-20-9-8-17(12-21)13-22-20)19-15-24(10-11-25-19)14-16-6-4-3-5-7-16/h3-9,13,18-19H,2,10-11,14-15H2,1H3,(H,22,23)
InChIKeyVBDKPDJJHIRLSZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.04
Rot. Bonds6

About 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile

6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 133364280) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
PubChem CID133364280
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCCC(Nc1ccc(C#N)cn1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H24N4O/c1-2-18(23-20-9-8-17(12-21)13-22-20)19-15-24(10-11-25-19)14-16-6-4-3-5-7-16/h3-9,13,18-19H,2,10-11,14-15H2,1H3,(H,22,23)
InChIKeyVBDKPDJJHIRLSZ-UHFFFAOYSA-N
XLogP3.04
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224
6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364265
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133420372
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133364242
6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133386452
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
CID 35901850

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile (CID 133364280) is 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile is CCC(Nc1ccc(C#N)cn1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is VBDKPDJJHIRLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-18(23-20-9-8-17(12-21)13-22-20)19-15-24(10-11-25-19)14-16-6-4-3-5-7-16/h3-9,13,18-19H,2,10-11,14-15H2,1H3,(H,22,23).
What are the key properties of 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile?
6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133364280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).