4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide

C51H47BrN6O7 — CID 159811499

IUPAC4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(/C=C/c3ccccc3)ccn2)cc1.COc1ccc(CNC(=O)c2cc(Br)ccn2)cc1.COc1ccc(CNC(=O)c2cc(C=O)ccn2)cc1
InChIInChI=1S/C22H20N2O2.C15H14N2O3.C14H13BrN2O2/c1-26-20-11-9-19(10-12-20)16-24-22(25)21-15-18(13-14-23-21)8-7-17-5-3-2-4-6-17;1-20-13-4-2-11(3-5-13)9-17-15(19)14-8-12(10-18)6-7-16-14;1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-15H,16H2,1H3,(H,24,25);2-8,10H,9H2,1H3,(H,17,19);2-8H,9H2,1H3,(H,17,18)/b8-7+;;
InChIKeyNLBUPSMABDSAIX-MIIBGCIDSA-N
MW935.88 g/mol
LogP8.81
Rot. Bonds15

About 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide

4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide (PubChem CID 159811499) has the molecular formula C51H47BrN6O7 and a molecular weight of 935.88 g/mol. Its IUPAC name is 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide
PubChem CID159811499
Molecular FormulaC51H47BrN6O7
Molecular Weight935.88 g/mol
Exact Mass934.27
IUPAC Name4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(/C=C/c3ccccc3)ccn2)cc1.COc1ccc(CNC(=O)c2cc(Br)ccn2)cc1.COc1ccc(CNC(=O)c2cc(C=O)ccn2)cc1
InChIInChI=1S/C22H20N2O2.C15H14N2O3.C14H13BrN2O2/c1-26-20-11-9-19(10-12-20)16-24-22(25)21-15-18(13-14-23-21)8-7-17-5-3-2-4-6-17;1-20-13-4-2-11(3-5-13)9-17-15(19)14-8-12(10-18)6-7-16-14;1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-15H,16H2,1H3,(H,24,25);2-8,10H,9H2,1H3,(H,17,19);2-8H,9H2,1H3,(H,17,18)/b8-7+;;
InChIKeyNLBUPSMABDSAIX-MIIBGCIDSA-N
XLogP8.81
TPSA170.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.88
LogP ≤ 58.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide (CID 159811499) is 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(/C=C/c3ccccc3)ccn2)cc1.COc1ccc(CNC(=O)c2cc(Br)ccn2)cc1.COc1ccc(CNC(=O)c2cc(C=O)ccn2)cc1.
What is the InChIKey of 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide?
The InChIKey is NLBUPSMABDSAIX-MIIBGCIDSA-N. The full InChI is InChI=1S/C22H20N2O2.C15H14N2O3.C14H13BrN2O2/c1-26-20-11-9-19(10-12-20)16-24-22(25)21-15-18(13-14-23-21)8-7-17-5-3-2-4-6-17;1-20-13-4-2-11(3-5-13)9-17-15(19)14-8-12(10-18)6-7-16-14;1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-15H,16H2,1H3,(H,24,25);2-8,10H,9H2,1H3,(H,17,19);2-8H,9H2,1H3,(H,17,18)/b8-7+;;.
What are the key properties of 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide?
4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide has a molecular weight of 935.88 g/mol, XLogP of 8.81, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide is sourced from PubChem (CID 159811499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).