1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C24H35N5O2 — CID 29111432

IUPAC1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H35N5O2/c1-4-28-16-20(21(30)19-9-8-18(2)26-22(19)28)23(31)25-17-24(10-6-5-7-11-24)29-14-12-27(3)13-15-29/h8-9,16H,4-7,10-15,17H2,1-3H3,(H,25,31)
InChIKeyOXKBWQNAQXBLBJ-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.40
Rot. Bonds5

About 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 29111432) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID29111432
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H35N5O2/c1-4-28-16-20(21(30)19-9-8-18(2)26-22(19)28)23(31)25-17-24(10-6-5-7-11-24)29-14-12-27(3)13-15-29/h8-9,16H,4-7,10-15,17H2,1-3H3,(H,25,31)
InChIKeyOXKBWQNAQXBLBJ-UHFFFAOYSA-N
XLogP2.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 29111432) is 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OXKBWQNAQXBLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-4-28-16-20(21(30)19-9-8-18(2)26-22(19)28)23(31)25-17-24(10-6-5-7-11-24)29-14-12-27(3)13-15-29/h8-9,16H,4-7,10-15,17H2,1-3H3,(H,25,31).
What are the key properties of 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 29111432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).