2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid

C16H16N4O3 — CID 86305421

IUPAC2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid
SMILESNC(=O)N1CCCc2cc(-c3cncc(CC(=O)O)c3)cnc21
InChIInChI=1S/C16H16N4O3/c17-16(23)20-3-1-2-11-6-13(9-19-15(11)20)12-4-10(5-14(21)22)7-18-8-12/h4,6-9H,1-3,5H2,(H2,17,23)(H,21,22)
InChIKeyPPDNVNNKCMLJAN-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.60
Rot. Bonds3

About 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid

2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid (PubChem CID 86305421) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid
PubChem CID86305421
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid
SMILESNC(=O)N1CCCc2cc(-c3cncc(CC(=O)O)c3)cnc21
InChIInChI=1S/C16H16N4O3/c17-16(23)20-3-1-2-11-6-13(9-19-15(11)20)12-4-10(5-14(21)22)7-18-8-12/h4,6-9H,1-3,5H2,(H2,17,23)(H,21,22)
InChIKeyPPDNVNNKCMLJAN-UHFFFAOYSA-N
XLogP1.60
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid (CID 86305421) is 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid is NC(=O)N1CCCc2cc(-c3cncc(CC(=O)O)c3)cnc21.
What is the InChIKey of 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid?
The InChIKey is PPDNVNNKCMLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c17-16(23)20-3-1-2-11-6-13(9-19-15(11)20)12-4-10(5-14(21)22)7-18-8-12/h4,6-9H,1-3,5H2,(H2,17,23)(H,21,22).
What are the key properties of 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid?
2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 86305421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).