N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide

C27H32N4O — CID 67055113

IUPACN-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(Nc2cccc(C=Cc3ccncc3)c2)c1
InChIInChI=1S/C27H32N4O/c1-3-31(4-2)19-7-16-29-27(32)24-9-6-11-26(21-24)30-25-10-5-8-23(20-25)13-12-22-14-17-28-18-15-22/h5-6,8-15,17-18,20-21,30H,3-4,7,16,19H2,1-2H3,(H,29,32)
InChIKeyYIZJTUSBTZHCIV-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.46
Rot. Bonds11

About N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide

N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide (PubChem CID 67055113) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
PubChem CID67055113
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(Nc2cccc(C=Cc3ccncc3)c2)c1
InChIInChI=1S/C27H32N4O/c1-3-31(4-2)19-7-16-29-27(32)24-9-6-11-26(21-24)30-25-10-5-8-23(20-25)13-12-22-14-17-28-18-15-22/h5-6,8-15,17-18,20-21,30H,3-4,7,16,19H2,1-2H3,(H,29,32)
InChIKeyYIZJTUSBTZHCIV-UHFFFAOYSA-N
XLogP5.46
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide
CID 88991666
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
N-[3-(diethylamino)propyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 110476308
3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119847686
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide (CID 67055113) is N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide is CCN(CC)CCCNC(=O)c1cccc(Nc2cccc(C=Cc3ccncc3)c2)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide?
The InChIKey is YIZJTUSBTZHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-3-31(4-2)19-7-16-29-27(32)24-9-6-11-26(21-24)30-25-10-5-8-23(20-25)13-12-22-14-17-28-18-15-22/h5-6,8-15,17-18,20-21,30H,3-4,7,16,19H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide?
N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide has a molecular weight of 428.58 g/mol, XLogP of 5.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide is sourced from PubChem (CID 67055113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).