5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide

C16H10BrClN2O — CID 1016141

IUPAC5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc2c(Br)cccc12
InChIInChI=1S/C16H10BrClN2O/c17-14-6-2-3-11-12(14)4-1-5-13(11)16(21)20-15-8-7-10(18)9-19-15/h1-9H,(H,19,20,21)
InChIKeyNPCOTIACINKFRE-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.90
Rot. Bonds2

About 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide

5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide (PubChem CID 1016141) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide
PubChem CID1016141
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc2c(Br)cccc12
InChIInChI=1S/C16H10BrClN2O/c17-14-6-2-3-11-12(14)4-1-5-13(11)16(21)20-15-8-7-10(18)9-19-15/h1-9H,(H,19,20,21)
InChIKeyNPCOTIACINKFRE-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide (CID 1016141) is 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide?
The InChIKey is NPCOTIACINKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-14-6-2-3-11-12(14)4-1-5-13(11)16(21)20-15-8-7-10(18)9-19-15/h1-9H,(H,19,20,21).
What are the key properties of 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide?
5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide has a molecular weight of 361.63 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-pyridinyl)naphthalene-1-carboxamide is sourced from PubChem (CID 1016141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).