6-(3-cyanopropylamino)pyridine-2-carbonitrile

C10H10N4 — CID 130778540

IUPAC6-(3-cyanopropylamino)pyridine-2-carbonitrile
SMILESN#CCCCNc1cccc(C#N)n1
InChIInChI=1S/C10H10N4/c11-6-1-2-7-13-10-5-3-4-9(8-12)14-10/h3-5H,1-2,7H2,(H,13,14)
InChIKeyYIWNEFXJHHNIKS-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.67
Rot. Bonds4

About 6-(3-cyanopropylamino)pyridine-2-carbonitrile

6-(3-cyanopropylamino)pyridine-2-carbonitrile (PubChem CID 130778540) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 6-(3-cyanopropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-cyanopropylamino)pyridine-2-carbonitrile
PubChem CID130778540
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name6-(3-cyanopropylamino)pyridine-2-carbonitrile
SMILESN#CCCCNc1cccc(C#N)n1
InChIInChI=1S/C10H10N4/c11-6-1-2-7-13-10-5-3-4-9(8-12)14-10/h3-5H,1-2,7H2,(H,13,14)
InChIKeyYIWNEFXJHHNIKS-UHFFFAOYSA-N
XLogP1.67
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile
CID 115766580
6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile
CID 64589579
6-(3-benzylsulfonylpropylamino)pyridine-2-carbonitrile
CID 133392124
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile
CID 124618528
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-2-carbonitrile
CID 65232033
6-(pent-4-yn-2-ylamino)pyridine-2-carbonitrile
CID 115658850
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 167888568

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopropylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-cyanopropylamino)pyridine-2-carbonitrile (CID 130778540) is 6-(3-cyanopropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-cyanopropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-cyanopropylamino)pyridine-2-carbonitrile is N#CCCCNc1cccc(C#N)n1.
What is the InChIKey of 6-(3-cyanopropylamino)pyridine-2-carbonitrile?
The InChIKey is YIWNEFXJHHNIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-6-1-2-7-13-10-5-3-4-9(8-12)14-10/h3-5H,1-2,7H2,(H,13,14).
What are the key properties of 6-(3-cyanopropylamino)pyridine-2-carbonitrile?
6-(3-cyanopropylamino)pyridine-2-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 130778540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).