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

C21H19N5O2 — CID 86305959

IUPAC6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H19N5O2/c22-19(27)18-6-2-1-5-17(18)16-9-14(10-24-11-16)15-8-13-4-3-7-26(21(23)28)20(13)25-12-15/h1-2,5-6,8-12H,3-4,7H2,(H2,22,27)(H2,23,28)
InChIKeySHHADIPWMCKJSS-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.74
Rot. Bonds3

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

6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305959) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305959
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H19N5O2/c22-19(27)18-6-2-1-5-17(18)16-9-14(10-24-11-16)15-8-13-4-3-7-26(21(23)28)20(13)25-12-15/h1-2,5-6,8-12H,3-4,7H2,(H2,22,27)(H2,23,28)
InChIKeySHHADIPWMCKJSS-UHFFFAOYSA-N
XLogP2.74
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305959) is 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SHHADIPWMCKJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-19(27)18-6-2-1-5-17(18)16-9-14(10-24-11-16)15-8-13-4-3-7-26(21(23)28)20(13)25-12-15/h1-2,5-6,8-12H,3-4,7H2,(H2,22,27)(H2,23,28).
What are the key properties of 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-carbamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).