N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide

C19H16BrN3O2 — CID 109245082

IUPACN-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-18-4-2-3-16(10-18)22-17-9-13(11-21-12-17)19(24)23-15-7-5-14(20)6-8-15/h2-12,22H,1H3,(H,23,24)
InChIKeyICUUPZSTKICEGT-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

About N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide

N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109245082) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID109245082
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-18-4-2-3-16(10-18)22-17-9-13(11-21-12-17)19(24)23-15-7-5-14(20)6-8-15/h2-12,22H,1H3,(H,23,24)
InChIKeyICUUPZSTKICEGT-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide (CID 109245082) is N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2cncc(C(=O)Nc3ccc(Br)cc3)c2)c1.
What is the InChIKey of N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is ICUUPZSTKICEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-18-4-2-3-16(10-18)22-17-9-13(11-21-12-17)19(24)23-15-7-5-14(20)6-8-15/h2-12,22H,1H3,(H,23,24).
What are the key properties of N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).