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

C17H12BrClN8O — CID 169122133

IUPAC5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
SMILESN#CC1Cc2c(Br)cncc2N(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)C1
InChIInChI=1S/C17H12BrClN8O/c18-13-7-21-8-15-12(13)3-10(5-20)9-26(15)17(28)25-11-4-14(19)16(22-6-11)27-23-1-2-24-27/h1-2,4,6-8,10H,3,9H2,(H,25,28)
InChIKeyAGMAEMAHFLUCQJ-UHFFFAOYSA-N
MW459.70 g/mol
LogP3.21
Rot. Bonds2

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

5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide (PubChem CID 169122133) has the molecular formula C17H12BrClN8O and a molecular weight of 459.70 g/mol. Its IUPAC name is 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
PubChem CID169122133
Molecular FormulaC17H12BrClN8O
Molecular Weight459.70 g/mol
Exact Mass458.00
IUPAC Name5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
SMILESN#CC1Cc2c(Br)cncc2N(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)C1
InChIInChI=1S/C17H12BrClN8O/c18-13-7-21-8-15-12(13)3-10(5-20)9-26(15)17(28)25-11-4-14(19)16(22-6-11)27-23-1-2-24-27/h1-2,4,6-8,10H,3,9H2,(H,25,28)
InChIKeyAGMAEMAHFLUCQJ-UHFFFAOYSA-N
XLogP3.21
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-cyano-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-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide (CID 169122133) is 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-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-cyano-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-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide is N#CC1Cc2c(Br)cncc2N(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)C1.
What is the InChIKey of 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The InChIKey is AGMAEMAHFLUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN8O/c18-13-7-21-8-15-12(13)3-10(5-20)9-26(15)17(28)25-11-4-14(19)16(22-6-11)27-23-1-2-24-27/h1-2,4,6-8,10H,3,9H2,(H,25,28).
What are the key properties of 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide has a molecular weight of 459.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyano-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 169122133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).