1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone

C44H54N8O5 — CID 159109425

IUPAC1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4)c2)CC1.CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(C)=O)c2)CC1
InChIInChI=1S/C23H28N4O3.C21H26N4O2/c1-16(28)26-8-5-22(6-9-26)30-15-18-10-20(13-24-12-18)21-11-19-4-3-7-27(17(2)29)23(19)25-14-21;1-15(26)25-7-4-20(5-8-25)27-14-16-9-18(12-22-11-16)19-10-17-3-2-6-23-21(17)24-13-19/h10-14,22H,3-9,15H2,1-2H3;9-13,20H,2-8,14H2,1H3,(H,23,24)
InChIKeyKEHKNVQFQNSVSG-UHFFFAOYSA-N
MW774.97 g/mol
LogP6.00
Rot. Bonds8

About 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone

1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone (PubChem CID 159109425) has the molecular formula C44H54N8O5 and a molecular weight of 774.97 g/mol. Its IUPAC name is 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone
PubChem CID159109425
Molecular FormulaC44H54N8O5
Molecular Weight774.97 g/mol
Exact Mass774.42
IUPAC Name1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4)c2)CC1.CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(C)=O)c2)CC1
InChIInChI=1S/C23H28N4O3.C21H26N4O2/c1-16(28)26-8-5-22(6-9-26)30-15-18-10-20(13-24-12-18)21-11-19-4-3-7-27(17(2)29)23(19)25-14-21;1-15(26)25-7-4-20(5-8-25)27-14-16-9-18(12-22-11-16)19-10-17-3-2-6-23-21(17)24-13-19/h10-14,22H,3-9,15H2,1-2H3;9-13,20H,2-8,14H2,1H3,(H,23,24)
InChIKeyKEHKNVQFQNSVSG-UHFFFAOYSA-N
XLogP6.00
TPSA142.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

6-[5-[(1-acetylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305423
6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305663
6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305963
6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305964
6-[5-(1-methoxy-1-methyl-ethyl)-3-pyridyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117666943
6-[5-[(1-acetylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117666954
6-[5-[[2-(methylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667038
6-[5-[(2-oxo-2-pyrrolidin-1-ylethoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667200
6-[5-[[2-(4,4-difluoropiperidin-1-yl)-2-oxoethoxy]methyl]pyridin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667212
6-[5-(2-morpholinoethoxymethyl)-3-pyridyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667230
6-[5-[[2-(diethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667250
6-[5-(3,6-Dihydro-2H-pyran-4-yl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117667278

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone (CID 159109425) is 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4)c2)CC1.CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(C)=O)c2)CC1.
What is the InChIKey of 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone?
The InChIKey is KEHKNVQFQNSVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C21H26N4O2/c1-16(28)26-8-5-22(6-9-26)30-15-18-10-20(13-24-12-18)21-11-19-4-3-7-27(17(2)29)23(19)25-14-21;1-15(26)25-7-4-20(5-8-25)27-14-16-9-18(12-22-11-16)19-10-17-3-2-6-23-21(17)24-13-19/h10-14,22H,3-9,15H2,1-2H3;9-13,20H,2-8,14H2,1H3,(H,23,24).
What are the key properties of 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone?
1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone has a molecular weight of 774.97 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 159109425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).