N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide

C24H26N4O4 — CID 66893989

IUPACN-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(CNc2ccc(C=CC(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4/c1-30-20-12-17(13-21(31-2)24(20)32-3)15-27-22-10-8-16(14-26-22)9-11-23(29)28-19-7-5-4-6-18(19)25/h4-14H,15,25H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyCUYARGQDZDCBCV-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.95
Rot. Bonds9

About N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide

N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide (PubChem CID 66893989) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
PubChem CID66893989
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(CNc2ccc(C=CC(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4/c1-30-20-12-17(13-21(31-2)24(20)32-3)15-27-22-10-8-16(14-26-22)9-11-23(29)28-19-7-5-4-6-18(19)25/h4-14H,15,25H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyCUYARGQDZDCBCV-UHFFFAOYSA-N
XLogP3.95
TPSA107.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-[4-[(3,4,5-trimethoxyphenoxy)methyl]phenyl]prop-2-enamide
CID 66893923
(Z)-N-(2-aminophenyl)-3-[3-amino-4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893238
(E)-N-(2-aminophenyl)-3-[3-amino-4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 22478632
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
(E)-N-(2-aminophenyl)-3-[6-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]-3-pyridinyl]prop-2-enamide
CID 20786034
N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide
CID 66893848
N-(2-amino-3-hydroxyphenyl)-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893475
(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
CID 66893186
(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807662
4-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]benzaldehyde
CID 126471081
(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfanylmethyl]phenyl]prop-2-enamide
CID 155551155
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide (CID 66893989) is N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide is COc1cc(CNc2ccc(C=CC(=O)Nc3ccccc3N)cn2)cc(OC)c1OC.
What is the InChIKey of N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide?
The InChIKey is CUYARGQDZDCBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-20-12-17(13-21(31-2)24(20)32-3)15-27-22-10-8-16(14-26-22)9-11-23(29)28-19-7-5-4-6-18(19)25/h4-14H,15,25H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide?
N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide has a molecular weight of 434.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 66893989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).