6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H19N5O — CID 86305269

IUPAC6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#CCc1ccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc1
InChIInChI=1S/C22H19N5O/c23-8-7-15-3-5-16(6-4-15)18-11-19(13-25-12-18)20-10-17-2-1-9-27(22(24)28)21(17)26-14-20/h3-6,10-14H,1-2,7,9H2,(H2,24,28)
InChIKeyULJFIDTWECASCC-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.71
Rot. Bonds3

About 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305269) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305269
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#CCc1ccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc1
InChIInChI=1S/C22H19N5O/c23-8-7-15-3-5-16(6-4-15)18-11-19(13-25-12-18)20-10-17-2-1-9-27(22(24)28)21(17)26-14-20/h3-6,10-14H,1-2,7,9H2,(H2,24,28)
InChIKeyULJFIDTWECASCC-UHFFFAOYSA-N
XLogP3.71
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305269) is 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#CCc1ccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc1.
What is the InChIKey of 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ULJFIDTWECASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-8-7-15-3-5-16(6-4-15)18-11-19(13-25-12-18)20-10-17-2-1-9-27(22(24)28)21(17)26-14-20/h3-6,10-14H,1-2,7,9H2,(H2,24,28).
What are the key properties of 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).