(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide

C14H11BrN2O — CID 102820533

IUPAC(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H11BrN2O/c15-12-8-9-16-13(10-12)17-14(18)7-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b7-6+
InChIKeyCVCBQKKUOUNNAD-VOTSOKGWSA-N
MW303.16 g/mol
LogP3.50
Rot. Bonds3

About (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide

(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 102820533) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
PubChem CID102820533
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H11BrN2O/c15-12-8-9-16-13(10-12)17-14(18)7-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b7-6+
InChIKeyCVCBQKKUOUNNAD-VOTSOKGWSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
2-[3-(3-bromophenyl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037440
3-phenyl-N-(4-pyridin-4-yl-2-pyridinyl)prop-2-enamide
CID 171061782
(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102820535
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
CID 115342586
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393054
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide (CID 102820533) is (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cc(Br)ccn1.
What is the InChIKey of (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is CVCBQKKUOUNNAD-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-8-9-16-13(10-12)17-14(18)7-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b7-6+.
What are the key properties of (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 303.16 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 102820533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).