3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile

C17H19N3O — CID 103938313

IUPAC3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile
SMILESCC[C@H](O)c1ccc(N(CCC#N)c2ccccc2)cn1
InChIInChI=1S/C17H19N3O/c1-2-17(21)16-10-9-15(13-19-16)20(12-6-11-18)14-7-4-3-5-8-14/h3-5,7-10,13,17,21H,2,6,12H2,1H3/t17-/m0/s1
InChIKeyMMGCAULBXBVRJK-KRWDZBQOSA-N
MW281.36 g/mol
LogP3.58
Rot. Bonds6

About 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile

3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile (PubChem CID 103938313) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile.

Molecular Properties

Compound Name3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile
PubChem CID103938313
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile
SMILESCC[C@H](O)c1ccc(N(CCC#N)c2ccccc2)cn1
InChIInChI=1S/C17H19N3O/c1-2-17(21)16-10-9-15(13-19-16)20(12-6-11-18)14-7-4-3-5-8-14/h3-5,7-10,13,17,21H,2,6,12H2,1H3/t17-/m0/s1
InChIKeyMMGCAULBXBVRJK-KRWDZBQOSA-N
XLogP3.58
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
CID 103938579
(1R)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938832
3-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103938718
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
CID 83131425
6-[(1R)-1-aminopropyl]-N-butyl-N-phenylpyridin-3-amine
CID 103937433
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
6-(1-aminopropyl)-N-ethyl-N-phenylpyridin-3-amine
CID 112584084
3-(N-[2-(1-aminopropyl)phenyl]anilino)propanenitrile
CID 115994820
3-(N-[4-(chloromethyl)phenyl]anilino)propanenitrile
CID 28946405
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356

Frequently Asked Questions

What is the IUPAC name of 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile?
The IUPAC name of 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile (CID 103938313) is 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile.
What is the SMILES notation for 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile?
The canonical SMILES for 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile is CC[C@H](O)c1ccc(N(CCC#N)c2ccccc2)cn1.
What is the InChIKey of 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile?
The InChIKey is MMGCAULBXBVRJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-17(21)16-10-9-15(13-19-16)20(12-6-11-18)14-7-4-3-5-8-14/h3-5,7-10,13,17,21H,2,6,12H2,1H3/t17-/m0/s1.
What are the key properties of 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile?
3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile has a molecular weight of 281.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile is sourced from PubChem (CID 103938313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).