4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide

C18H19N3O3 — CID 94630116

IUPAC4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C\c1ccccn1
InChIInChI=1S/C18H19N3O3/c1-21(2)18(23)13-7-9-16(24-3)15(12-13)20-17(22)10-8-14-6-4-5-11-19-14/h4-12H,1-3H3,(H,20,22)/b10-8-
InChIKeySAEBPQKHSPHXJV-NTMALXAHSA-N
MW325.37 g/mol
LogP2.44
Rot. Bonds5

About 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide

4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide (PubChem CID 94630116) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
PubChem CID94630116
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C\c1ccccn1
InChIInChI=1S/C18H19N3O3/c1-21(2)18(23)13-7-9-16(24-3)15(12-13)20-17(22)10-8-14-6-4-5-11-19-14/h4-12H,1-3H3,(H,20,22)/b10-8-
InChIKeySAEBPQKHSPHXJV-NTMALXAHSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(5-iodofuran-2-yl)prop-2-enoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 76866550
4-methoxy-N,N-dimethyl-3-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
CID 60537517
4-[(E)-3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300754
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 48796735
(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
CID 86992530
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
CID 71890144
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
CID 71977432
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
3-(but-2-enoylamino)-4-methoxybenzoic acid
CID 77004878

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide (CID 94630116) is 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C\c1ccccn1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
The InChIKey is SAEBPQKHSPHXJV-NTMALXAHSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21(2)18(23)13-7-9-16(24-3)15(12-13)20-17(22)10-8-14-6-4-5-11-19-14/h4-12H,1-3H3,(H,20,22)/b10-8-.
What are the key properties of 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 94630116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).