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

C16H15N5O — CID 86305616

IUPAC6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C16H15N5O/c17-4-3-11-6-13(9-19-8-11)14-7-12-2-1-5-21(16(18)22)15(12)20-10-14/h6-10H,1-3,5H2,(H2,18,22)
InChIKeyQOWCDILBNCLRRL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.04
Rot. Bonds2

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

6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305616) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305616
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C16H15N5O/c17-4-3-11-6-13(9-19-8-11)14-7-12-2-1-5-21(16(18)22)15(12)20-10-14/h6-10H,1-3,5H2,(H2,18,22)
InChIKeyQOWCDILBNCLRRL-UHFFFAOYSA-N
XLogP2.04
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methyl-pyridin-3-yl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 86272002
6-[5-(6-methyl-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305264
6-[5-[3-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305265
6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305269
6-(5-pyridin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305321
6-(5-chloro-4-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305323
6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305368
6-[5-(oxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305371
6-[5-(2-methylsulfonylethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305372
6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305373
6-(5-pyrrolidin-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305374
6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305420

Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305616) is 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QOWCDILBNCLRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-4-3-11-6-13(9-19-8-11)14-7-12-2-1-5-21(16(18)22)15(12)20-10-14/h6-10H,1-3,5H2,(H2,18,22).
What are the key properties of 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).