N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C19H17BrN4O — CID 109213210

IUPACN-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3cccnc3)ccn2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-13-4-5-17(16(20)9-13)24-19(25)18-10-15(6-8-22-18)23-12-14-3-2-7-21-11-14/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyXSSHHIMKHRLYIP-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213210) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213210
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3cccnc3)ccn2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-13-4-5-17(16(20)9-13)24-19(25)18-10-15(6-8-22-18)23-12-14-3-2-7-21-11-14/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyXSSHHIMKHRLYIP-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202431
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109213210) is N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NCc3cccnc3)ccn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is XSSHHIMKHRLYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-4-5-17(16(20)9-13)24-19(25)18-10-15(6-8-22-18)23-12-14-3-2-7-21-11-14/h2-11H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).