6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C15H12ClN5O — CID 86305323

IUPAC6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1c(Cl)cncc1-c1cnc2c(c1)CCCN2C(N)=O
InChIInChI=1S/C15H12ClN5O/c16-13-8-19-7-12(11(13)5-17)10-4-9-2-1-3-21(15(18)22)14(9)20-6-10/h4,6-8H,1-3H2,(H2,18,22)
InChIKeyJJTARXQGAQJOMD-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.50
Rot. Bonds1

About 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305323) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305323
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1c(Cl)cncc1-c1cnc2c(c1)CCCN2C(N)=O
InChIInChI=1S/C15H12ClN5O/c16-13-8-19-7-12(11(13)5-17)10-4-9-2-1-3-21(15(18)22)14(9)20-6-10/h4,6-8H,1-3H2,(H2,18,22)
InChIKeyJJTARXQGAQJOMD-UHFFFAOYSA-N
XLogP2.50
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 86272002
CID 86272002
CID 86305265
CID 86305265
CID 86305269
CID 86305269
CID 86305368
CID 86305368
CID 86305569
CID 86305569
CID 86305611
CID 86305611
CID 86305615
CID 86305615
CID 86305616
CID 86305616
CID 86305618
CID 86305618
CID 86305661
CID 86305661
CID 86305662
CID 86305662
CID 86305667
CID 86305667

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305323) is 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1c(Cl)cncc1-c1cnc2c(c1)CCCN2C(N)=O.
What is the InChIKey of 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is JJTARXQGAQJOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-13-8-19-7-12(11(13)5-17)10-4-9-2-1-3-21(15(18)22)14(9)20-6-10/h4,6-8H,1-3H2,(H2,18,22).
What are the key properties of 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 313.75 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).