5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C18H15BrN4O — CID 109191533

IUPAC5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C18H15BrN4O/c19-14-1-3-15(4-2-14)23-16-5-6-17(21-12-16)18(24)22-11-13-7-9-20-10-8-13/h1-10,12,23H,11H2,(H,22,24)
InChIKeyBCLKYSFUYNCNEK-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.91
Rot. Bonds5

About 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191533) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109191533
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C18H15BrN4O/c19-14-1-3-15(4-2-14)23-16-5-6-17(21-12-16)18(24)22-11-13-7-9-20-10-8-13/h1-10,12,23H,11H2,(H,22,24)
InChIKeyBCLKYSFUYNCNEK-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191596
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135186660
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109191533) is 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1ccc(Nc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BCLKYSFUYNCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-14-1-3-15(4-2-14)23-16-5-6-17(21-12-16)18(24)22-11-13-7-9-20-10-8-13/h1-10,12,23H,11H2,(H,22,24).
What are the key properties of 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).