6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C23H30N4O3 — CID 91949207

IUPAC6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCC(=O)N1Cc2cccnc2C(C(=O)NCC(c2ccco2)N2CCCCCC2)C1
InChIInChI=1S/C23H30N4O3/c1-17(28)27-15-18-8-6-10-24-22(18)19(16-27)23(29)25-14-20(21-9-7-13-30-21)26-11-4-2-3-5-12-26/h6-10,13,19-20H,2-5,11-12,14-16H2,1H3,(H,25,29)
InChIKeyRHMQVUNUFVLACW-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.85
Rot. Bonds5

About 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949207) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949207
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCC(=O)N1Cc2cccnc2C(C(=O)NCC(c2ccco2)N2CCCCCC2)C1
InChIInChI=1S/C23H30N4O3/c1-17(28)27-15-18-8-6-10-24-22(18)19(16-27)23(29)25-14-20(21-9-7-13-30-21)26-11-4-2-3-5-12-26/h6-10,13,19-20H,2-5,11-12,14-16H2,1H3,(H,25,29)
InChIKeyRHMQVUNUFVLACW-UHFFFAOYSA-N
XLogP2.85
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138828
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95130212
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
2-ethoxy-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 4878101
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165357

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949207) is 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is CC(=O)N1Cc2cccnc2C(C(=O)NCC(c2ccco2)N2CCCCCC2)C1.
What is the InChIKey of 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is RHMQVUNUFVLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17(28)27-15-18-8-6-10-24-22(18)19(16-27)23(29)25-14-20(21-9-7-13-30-21)26-11-4-2-3-5-12-26/h6-10,13,19-20H,2-5,11-12,14-16H2,1H3,(H,25,29).
What are the key properties of 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).