3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H27ClN6O2 — CID 167179154

IUPAC3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(Cl)c4)C(C)C3)cc2[nH]c1=O
InChIInChI=1S/C23H27ClN6O2/c1-4-16-8-19-20(28-22(16)31)7-15(10-26-19)13-29-5-6-30(14(2)12-29)17-9-18(24)21(27-11-17)23(32)25-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,25,32)(H,28,31)
InChIKeyLIFBIPXTTMTEIA-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.60
Rot. Bonds5

About 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 167179154) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID167179154
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(Cl)c4)C(C)C3)cc2[nH]c1=O
InChIInChI=1S/C23H27ClN6O2/c1-4-16-8-19-20(28-22(16)31)7-15(10-26-19)13-29-5-6-30(14(2)12-29)17-9-18(24)21(27-11-17)23(32)25-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,25,32)(H,28,31)
InChIKeyLIFBIPXTTMTEIA-UHFFFAOYSA-N
XLogP2.60
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
CID 166088908
13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
CID 166138953
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056342
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
CID 170311157
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide
CID 166082585
5-[4-[(3-ethyl-2-oxo-4-sulfanylidene-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 170981533
5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 171487955
5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 167179154) is 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(Cl)c4)C(C)C3)cc2[nH]c1=O.
What is the InChIKey of 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is LIFBIPXTTMTEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c1-4-16-8-19-20(28-22(16)31)7-15(10-26-19)13-29-5-6-30(14(2)12-29)17-9-18(24)21(27-11-17)23(32)25-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,25,32)(H,28,31).
What are the key properties of 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167179154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).