5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C21H20N4O — CID 134808490

IUPAC5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cnc2c(c1)N(Cc1ccccc1)CCC2
InChIInChI=1S/C21H20N4O/c26-21(24-18-8-4-10-22-14-18)17-12-20-19(23-13-17)9-5-11-25(20)15-16-6-2-1-3-7-16/h1-4,6-8,10,12-14H,5,9,11,15H2,(H,24,26)
InChIKeyPWQGXNBKFYPCKR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.68
Rot. Bonds4

About 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134808490) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134808490
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cnc2c(c1)N(Cc1ccccc1)CCC2
InChIInChI=1S/C21H20N4O/c26-21(24-18-8-4-10-22-14-18)17-12-20-19(23-13-17)9-5-11-25(20)15-16-6-2-1-3-7-16/h1-4,6-8,10,12-14H,5,9,11,15H2,(H,24,26)
InChIKeyPWQGXNBKFYPCKR-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134808490) is 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is O=C(Nc1cccnc1)c1cnc2c(c1)N(Cc1ccccc1)CCC2.
What is the InChIKey of 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is PWQGXNBKFYPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(24-18-8-4-10-22-14-18)17-12-20-19(23-13-17)9-5-11-25(20)15-16-6-2-1-3-7-16/h1-4,6-8,10,12-14H,5,9,11,15H2,(H,24,26).
What are the key properties of 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).