(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile

C8H8N4 — CID 163879883

IUPAC(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile
SMILESN#C/C=C(\N)Nc1ccncc1
InChIInChI=1S/C8H8N4/c9-4-1-8(10)12-7-2-5-11-6-3-7/h1-3,5-6H,10H2,(H,11,12)/b8-1+
InChIKeyPSFAFTCPIDJBKD-UNXLUWIOSA-N
MW160.18 g/mol
LogP0.82
Rot. Bonds2

About (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile

(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile (PubChem CID 163879883) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile
PubChem CID163879883
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile
SMILESN#C/C=C(\N)Nc1ccncc1
InChIInChI=1S/C8H8N4/c9-4-1-8(10)12-7-2-5-11-6-3-7/h1-3,5-6H,10H2,(H,11,12)/b8-1+
InChIKeyPSFAFTCPIDJBKD-UNXLUWIOSA-N
XLogP0.82
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-ylbut-2-enenitrile
CID 76913842
1-cyano-3-pyridin-4-ylthiourea
CID 13358277
1-amino-3-pyridin-4-ylurea
CID 15289585
(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
CID 2799818
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
2-cyano-3-methyl-N-pyridin-4-ylbutanamide
CID 55206630
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
(Z)-3-(3,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-enenitrile
CID 15908328
methyl 2-[(E)-2-cyano-1-pyridin-4-ylethenoxy]acetate
CID 166732439
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
(E)-4-methyl-N-pyridin-4-ylpent-2-enamide
CID 21135733
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile?
The IUPAC name of (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile (CID 163879883) is (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile.
What is the SMILES notation for (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile?
The canonical SMILES for (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile is N#C/C=C(\N)Nc1ccncc1.
What is the InChIKey of (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile?
The InChIKey is PSFAFTCPIDJBKD-UNXLUWIOSA-N. The full InChI is InChI=1S/C8H8N4/c9-4-1-8(10)12-7-2-5-11-6-3-7/h1-3,5-6H,10H2,(H,11,12)/b8-1+.
What are the key properties of (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile?
(E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile has a molecular weight of 160.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-(pyridin-4-ylamino)prop-2-enenitrile is sourced from PubChem (CID 163879883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).