5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide

C16H13BrClN7O — CID 169122229

IUPAC5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCCc2c(Br)cncc21
InChIInChI=1S/C16H13BrClN7O/c17-12-8-19-9-14-11(12)2-1-5-24(14)16(26)23-10-6-13(18)15(20-7-10)25-21-3-4-22-25/h3-4,6-9H,1-2,5H2,(H,23,26)
InChIKeyBAHWWJFUWVHTJD-UHFFFAOYSA-N
MW434.69 g/mol
LogP3.46
Rot. Bonds2

About 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide

5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide (PubChem CID 169122229) has the molecular formula C16H13BrClN7O and a molecular weight of 434.69 g/mol. Its IUPAC name is 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
PubChem CID169122229
Molecular FormulaC16H13BrClN7O
Molecular Weight434.69 g/mol
Exact Mass433.01
IUPAC Name5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCCc2c(Br)cncc21
InChIInChI=1S/C16H13BrClN7O/c17-12-8-19-9-14-11(12)2-1-5-24(14)16(26)23-10-6-13(18)15(20-7-10)25-21-3-4-22-25/h3-4,6-9H,1-2,5H2,(H,23,26)
InChIKeyBAHWWJFUWVHTJD-UHFFFAOYSA-N
XLogP3.46
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The IUPAC name of 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide (CID 169122229) is 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The canonical SMILES for 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCCc2c(Br)cncc21.
What is the InChIKey of 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The InChIKey is BAHWWJFUWVHTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN7O/c17-12-8-19-9-14-11(12)2-1-5-24(14)16(26)23-10-6-13(18)15(20-7-10)25-21-3-4-22-25/h3-4,6-9H,1-2,5H2,(H,23,26).
What are the key properties of 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide has a molecular weight of 434.69 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 169122229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).