2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile

C10H8N4 — CID 17199659

IUPAC2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNCc1cccnc1
InChIInChI=1S/C10H8N4/c11-4-10(5-12)8-14-7-9-2-1-3-13-6-9/h1-3,6,8,14H,7H2
InChIKeyVBIADIMRXBEREO-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.10
Rot. Bonds3

About 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile

2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile (PubChem CID 17199659) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile
PubChem CID17199659
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNCc1cccnc1
InChIInChI=1S/C10H8N4/c11-4-10(5-12)8-14-7-9-2-1-3-13-6-9/h1-3,6,8,14H,7H2
InChIKeyVBIADIMRXBEREO-UHFFFAOYSA-N
XLogP1.10
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyano-3-(pyridin-3-ylmethylamino)prop-2-enoate
CID 73374399
2-(furan-2-ylmethylsulfonyl)-3-(pyridin-3-ylmethylamino)prop-2-enenitrile
CID 3549932
(Z)-2-cyano-N-(4-nitrophenyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108852920
1-[(Z)-2-cyano-3-(pyridin-3-ylmethylamino)prop-2-enoyl]piperidine-4-carboxylic acid
CID 108832121
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108850692
(Z)-3-[(2-bromophenyl)methylamino]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837591
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108841409
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108862942
2-[[3-chloro-4-(pyridin-3-ylmethoxy)anilino]methylidene]propanedinitrile
CID 39823160
(Z)-3-(2-acetamidoethylamino)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837522
(Z)-2-cyano-3-(naphthalen-1-ylamino)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837477

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile?
The IUPAC name of 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile (CID 17199659) is 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile is N#CC(C#N)=CNCc1cccnc1.
What is the InChIKey of 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile?
The InChIKey is VBIADIMRXBEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-4-10(5-12)8-14-7-9-2-1-3-13-6-9/h1-3,6,8,14H,7H2.
What are the key properties of 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile?
2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile has a molecular weight of 184.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-3-ylmethylamino)methylidene]propanedinitrile is sourced from PubChem (CID 17199659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).