6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

C25H30N6O2 — CID 24954059

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NN2CCNCC2C)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C25H30N6O2/c1-3-30-15-22(25(33)29-31-9-8-26-13-16(31)2)23(32)21-12-20(14-27-24(21)30)28-19-10-17-6-4-5-7-18(17)11-19/h4-7,12,14-16,19,26,28H,3,8-11,13H2,1-2H3,(H,29,33)
InChIKeyAKPWRBRJKWIBPT-UHFFFAOYSA-N
MW446.56 g/mol
LogP1.93
Rot. Bonds5

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 24954059) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID24954059
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NN2CCNCC2C)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C25H30N6O2/c1-3-30-15-22(25(33)29-31-9-8-26-13-16(31)2)23(32)21-12-20(14-27-24(21)30)28-19-10-17-6-4-5-7-18(17)11-19/h4-7,12,14-16,19,26,28H,3,8-11,13H2,1-2H3,(H,29,33)
InChIKeyAKPWRBRJKWIBPT-UHFFFAOYSA-N
XLogP1.93
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 24954059) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NN2CCNCC2C)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AKPWRBRJKWIBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-3-30-15-22(25(33)29-31-9-8-26-13-16(31)2)23(32)21-12-20(14-27-24(21)30)28-19-10-17-6-4-5-7-18(17)11-19/h4-7,12,14-16,19,26,28H,3,8-11,13H2,1-2H3,(H,29,33).
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 24954059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).