N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

C18H14BrN3O — CID 71830298

IUPACN-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C18H14BrN3O/c19-16-6-3-13(4-7-16)10-22-18(23)15-5-8-17(21-12-15)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,22,23)
InChIKeyMBUYCOKVHHMXFU-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.84
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 71830298) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
PubChem CID71830298
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC NameN-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C18H14BrN3O/c19-16-6-3-13(4-7-16)10-22-18(23)15-5-8-17(21-12-15)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,22,23)
InChIKeyMBUYCOKVHHMXFU-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (CID 71830298) is N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is O=C(NCc1ccc(Br)cc1)c1ccc(-c2cccnc2)nc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is MBUYCOKVHHMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-16-6-3-13(4-7-16)10-22-18(23)15-5-8-17(21-12-15)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,22,23).
What are the key properties of N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 71830298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).