N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide

C19H19N3O3 — CID 56782333

IUPACN-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccn2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H19N3O3/c1-25-15-8-9-17(16(12-15)19(24)21-14-5-6-14)22-18(23)10-7-13-4-2-3-11-20-13/h2-4,7-12,14H,5-6H2,1H3,(H,21,24)(H,22,23)/b10-7+
InChIKeyRWHWYOUKWHLFQR-JXMROGBWSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds6

About N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide

N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide (PubChem CID 56782333) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
PubChem CID56782333
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccn2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H19N3O3/c1-25-15-8-9-17(16(12-15)19(24)21-14-5-6-14)22-18(23)10-7-13-4-2-3-11-20-13/h2-4,7-12,14H,5-6H2,1H3,(H,21,24)(H,22,23)/b10-7+
InChIKeyRWHWYOUKWHLFQR-JXMROGBWSA-N
XLogP2.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
CID 126812723
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56782337
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 8700153
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide (CID 56782333) is N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide is COc1ccc(NC(=O)/C=C/c2ccccn2)c(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
The InChIKey is RWHWYOUKWHLFQR-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-15-8-9-17(16(12-15)19(24)21-14-5-6-14)22-18(23)10-7-13-4-2-3-11-20-13/h2-4,7-12,14H,5-6H2,1H3,(H,21,24)(H,22,23)/b10-7+.
What are the key properties of N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide?
N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 56782333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).