N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide

C20H23N3O3 — CID 87518782

IUPACN-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
SMILESCOc1ccc(C(CC=CC=CC(=O)Nc2cccnc2N)OC)cc1
InChIInChI=1S/C20H23N3O3/c1-25-16-12-10-15(11-13-16)18(26-2)8-4-3-5-9-19(24)23-17-7-6-14-22-20(17)21/h3-7,9-14,18H,8H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyFHIOPVSHTRJFJM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.50
Rot. Bonds8

About N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide

N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide (PubChem CID 87518782) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
PubChem CID87518782
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
SMILESCOc1ccc(C(CC=CC=CC(=O)Nc2cccnc2N)OC)cc1
InChIInChI=1S/C20H23N3O3/c1-25-16-12-10-15(11-13-16)18(26-2)8-4-3-5-9-19(24)23-17-7-6-14-22-20(17)21/h3-7,9-14,18H,8H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyFHIOPVSHTRJFJM-UHFFFAOYSA-N
XLogP3.50
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
CID 74015252
(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 23072465
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 74015257
7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienoic acid;hydrochloride
CID 173099337
N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015249
7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
[(1R,3E,5E)-7-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-7-oxohepta-3,5-dienyl] N-(4-methoxyphenyl)carbamate
CID 23818160
(E)-4-[(2-amino-3-pyridinyl)amino]-1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-en-2-one
CID 25148475
N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide
CID 66893848
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
(E)-N-[2-(4-fluoroanilino)-3-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 155816048
(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide
CID 34958124

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide (CID 87518782) is N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide is COc1ccc(C(CC=CC=CC(=O)Nc2cccnc2N)OC)cc1.
What is the InChIKey of N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
The InChIKey is FHIOPVSHTRJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-16-12-10-15(11-13-16)18(26-2)8-4-3-5-9-19(24)23-17-7-6-14-22-20(17)21/h3-7,9-14,18H,8H2,1-2H3,(H2,21,22)(H,23,24).
What are the key properties of N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide has a molecular weight of 353.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide is sourced from PubChem (CID 87518782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).