N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide

C16H16BrN3O — CID 109202431

IUPACN-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C16H16BrN3O/c1-3-7-18-12-6-8-19-15(10-12)16(21)20-14-5-4-11(2)9-13(14)17/h3-6,8-10H,1,7H2,2H3,(H,18,19)(H,20,21)
InChIKeyLXNFSQZWFLJJNS-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.00
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide

N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109202431) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109202431
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C16H16BrN3O/c1-3-7-18-12-6-8-19-15(10-12)16(21)20-14-5-4-11(2)9-13(14)17/h3-6,8-10H,1,7H2,2H3,(H,18,19)(H,20,21)
InChIKeyLXNFSQZWFLJJNS-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
methyl 4-chloro-3-[[4-(prop-2-enylamino)pyridine-2-carbonyl]amino]benzoate
CID 109202416
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813
N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 82759319
N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202462
2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088863
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089325

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide (CID 109202431) is N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccnc(C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is LXNFSQZWFLJJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-3-7-18-12-6-8-19-15(10-12)16(21)20-14-5-4-11(2)9-13(14)17/h3-6,8-10H,1,7H2,2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).