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

C22H27N5O3 — CID 86305423

IUPAC6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N1CCCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1
InChIInChI=1S/C22H27N5O3/c1-15(28)26-6-3-5-20(13-26)30-14-16-8-18(11-24-10-16)19-9-17-4-2-7-27(22(23)29)21(17)25-12-19/h8-12,20H,2-7,13-14H2,1H3,(H2,23,29)
InChIKeyUVBHJDGXKUZFBR-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.50
Rot. Bonds4

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

6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305423) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305423
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N1CCCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1
InChIInChI=1S/C22H27N5O3/c1-15(28)26-6-3-5-20(13-26)30-14-16-8-18(11-24-10-16)19-9-17-4-2-7-27(22(23)29)21(17)25-12-19/h8-12,20H,2-7,13-14H2,1H3,(H2,23,29)
InChIKeyUVBHJDGXKUZFBR-UHFFFAOYSA-N
XLogP2.50
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305423) is 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N1CCCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1.
What is the InChIKey of 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is UVBHJDGXKUZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15(28)26-6-3-5-20(13-26)30-14-16-8-18(11-24-10-16)19-9-17-4-2-7-27(22(23)29)21(17)25-12-19/h8-12,20H,2-7,13-14H2,1H3,(H2,23,29).
What are the key properties of 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).