(Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide

C22H26N4O — CID 144755659

IUPAC(Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide
SMILESC=C/C(=C\CCC)CC(=O)Nc1ccc(-c2ccc(/N=C(\C)N)nc2)cc1
InChIInChI=1S/C22H26N4O/c1-4-6-7-17(5-2)14-22(27)26-20-11-8-18(9-12-20)19-10-13-21(24-15-19)25-16(3)23/h5,7-13,15H,2,4,6,14H2,1,3H3,(H,26,27)(H2,23,24,25)/b17-7+
InChIKeyDDUREZQYTMLPLV-REZTVBANSA-N
MW362.48 g/mol
LogP5.00
Rot. Bonds8

About (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide

(Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide (PubChem CID 144755659) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide.

Molecular Properties

Compound Name(Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide
PubChem CID144755659
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide
SMILESC=C/C(=C\CCC)CC(=O)Nc1ccc(-c2ccc(/N=C(\C)N)nc2)cc1
InChIInChI=1S/C22H26N4O/c1-4-6-7-17(5-2)14-22(27)26-20-11-8-18(9-12-20)19-10-13-21(24-15-19)25-16(3)23/h5,7-13,15H,2,4,6,14H2,1,3H3,(H,26,27)(H2,23,24,25)/b17-7+
InChIKeyDDUREZQYTMLPLV-REZTVBANSA-N
XLogP5.00
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(5-amino-2-pyridinyl)-3-ethenylhept-3-enamide;methanamine
CID 155597446
(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide
CID 143113299
N-[4-[6-[[amino-(2-methoxy-4-methylanilino)methylidene]amino]-3-pyridinyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 123953601
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-[4-(4-thionitrosophenyl)phenyl]pentanamide
CID 118636372
N-[4-(1-aminobutylideneamino)phenyl]acetamide
CID 63174235
N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 123384692
N-[4-[6-[[amino-[4-(3-fluoroazetidine-1-carbonyl)-2-methoxyanilino]methylidene]amino]-3-pyridinyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 123825893
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide?
The IUPAC name of (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide (CID 144755659) is (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide.
What is the SMILES notation for (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide?
The canonical SMILES for (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide is C=C/C(=C\CCC)CC(=O)Nc1ccc(-c2ccc(/N=C(\C)N)nc2)cc1.
What is the InChIKey of (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide?
The InChIKey is DDUREZQYTMLPLV-REZTVBANSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-6-7-17(5-2)14-22(27)26-20-11-8-18(9-12-20)19-10-13-21(24-15-19)25-16(3)23/h5,7-13,15H,2,4,6,14H2,1,3H3,(H,26,27)(H2,23,24,25)/b17-7+.
What are the key properties of (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide?
(Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide has a molecular weight of 362.48 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[6-(1-aminoethylideneamino)-3-pyridinyl]phenyl]-3-ethenylhept-3-enamide is sourced from PubChem (CID 144755659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).