2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide

C20H16N6O — CID 154386442

IUPAC2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide
SMILESN#CC(Cc1ccncc1)C(=O)NN=C(c1ccncc1)c1ccncc1
InChIInChI=1S/C20H16N6O/c21-14-18(13-15-1-7-22-8-2-15)20(27)26-25-19(16-3-9-23-10-4-16)17-5-11-24-12-6-17/h1-12,18H,13H2,(H,26,27)
InChIKeyQYUASYOLXGWJGM-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.12
Rot. Bonds6

About 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide

2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide (PubChem CID 154386442) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide
PubChem CID154386442
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide
SMILESN#CC(Cc1ccncc1)C(=O)NN=C(c1ccncc1)c1ccncc1
InChIInChI=1S/C20H16N6O/c21-14-18(13-15-1-7-22-8-2-15)20(27)26-25-19(16-3-9-23-10-4-16)17-5-11-24-12-6-17/h1-12,18H,13H2,(H,26,27)
InChIKeyQYUASYOLXGWJGM-UHFFFAOYSA-N
XLogP2.12
TPSA103.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 4674478
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3313060
2-(pyridine-4-carbonyl)butanenitrile
CID 43670500
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
(2S)-2-(hydroxymethyl)-3-pyridin-4-ylpropanenitrile
CID 97035089
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
CID 4192624
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
3-(4-bromophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82124577

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide (CID 154386442) is 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide is N#CC(Cc1ccncc1)C(=O)NN=C(c1ccncc1)c1ccncc1.
What is the InChIKey of 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide?
The InChIKey is QYUASYOLXGWJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c21-14-18(13-15-1-7-22-8-2-15)20(27)26-25-19(16-3-9-23-10-4-16)17-5-11-24-12-6-17/h1-12,18H,13H2,(H,26,27).
What are the key properties of 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide?
2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide has a molecular weight of 356.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 154386442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).