3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile

C14H19N3O — CID 103938579

IUPAC3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
SMILESCC[C@H](O)c1ccc(N(CCC#N)C2CC2)cn1
InChIInChI=1S/C14H19N3O/c1-2-14(18)13-7-6-12(10-16-13)17(9-3-8-15)11-4-5-11/h6-7,10-11,14,18H,2-5,9H2,1H3/t14-/m0/s1
InChIKeyJQZFFWJCJYUHRP-AWEZNQCLSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds6

About 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile

3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile (PubChem CID 103938579) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
PubChem CID103938579
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
SMILESCC[C@H](O)c1ccc(N(CCC#N)C2CC2)cn1
InChIInChI=1S/C14H19N3O/c1-2-14(18)13-7-6-12(10-16-13)17(9-3-8-15)11-4-5-11/h6-7,10-11,14,18H,2-5,9H2,1H3/t14-/m0/s1
InChIKeyJQZFFWJCJYUHRP-AWEZNQCLSA-N
XLogP2.41
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
CID 103938891
3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile
CID 103938313
3-[N-cyclopropyl-2-[(1R)-1-hydroxypropyl]anilino]propanenitrile
CID 113358991
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile (CID 103938579) is 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile is CC[C@H](O)c1ccc(N(CCC#N)C2CC2)cn1.
What is the InChIKey of 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile?
The InChIKey is JQZFFWJCJYUHRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-14(18)13-7-6-12(10-16-13)17(9-3-8-15)11-4-5-11/h6-7,10-11,14,18H,2-5,9H2,1H3/t14-/m0/s1.
What are the key properties of 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile?
3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile has a molecular weight of 245.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile is sourced from PubChem (CID 103938579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).