5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide

C14H13BrN4O2 — CID 62954926

IUPAC5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C14H13BrN4O2/c1-16-14(21)19-11-5-3-10(4-6-11)18-13(20)12-7-2-9(15)8-17-12/h2-8H,1H3,(H,18,20)(H2,16,19,21)
InChIKeyRBNADHREFXTFHM-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.85
Rot. Bonds3

About 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide

5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide (PubChem CID 62954926) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
PubChem CID62954926
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C14H13BrN4O2/c1-16-14(21)19-11-5-3-10(4-6-11)18-13(20)12-7-2-9(15)8-17-12/h2-8H,1H3,(H,18,20)(H2,16,19,21)
InChIKeyRBNADHREFXTFHM-UHFFFAOYSA-N
XLogP2.85
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-bromo-N-[4-(triazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62954396
5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
CID 99797834
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide (CID 62954926) is 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is RBNADHREFXTFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-16-14(21)19-11-5-3-10(4-6-11)18-13(20)12-7-2-9(15)8-17-12/h2-8H,1H3,(H,18,20)(H2,16,19,21).
What are the key properties of 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide?
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).