2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C26H29N5O2S — CID 59516648

IUPAC2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCCC1CCNC(=O)c1c(=O)c2ccc(NCC3CC3)nc2n2c1sc1ccccc12
InChIInChI=1S/C26H29N5O2S/c1-30-14-4-5-17(30)12-13-27-25(33)22-23(32)18-10-11-21(28-15-16-8-9-16)29-24(18)31-19-6-2-3-7-20(19)34-26(22)31/h2-3,6-7,10-11,16-17H,4-5,8-9,12-15H2,1H3,(H,27,33)(H,28,29)
InChIKeyUWRQQYNXPIABHQ-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.10
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 59516648) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID59516648
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCCC1CCNC(=O)c1c(=O)c2ccc(NCC3CC3)nc2n2c1sc1ccccc12
InChIInChI=1S/C26H29N5O2S/c1-30-14-4-5-17(30)12-13-27-25(33)22-23(32)18-10-11-21(28-15-16-8-9-16)29-24(18)31-19-6-2-3-7-20(19)34-26(22)31/h2-3,6-7,10-11,16-17H,4-5,8-9,12-15H2,1H3,(H,27,33)(H,28,29)
InChIKeyUWRQQYNXPIABHQ-UHFFFAOYSA-N
XLogP4.10
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 59516648) is 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CN1CCCC1CCNC(=O)c1c(=O)c2ccc(NCC3CC3)nc2n2c1sc1ccccc12.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is UWRQQYNXPIABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-30-14-4-5-17(30)12-13-27-25(33)22-23(32)18-10-11-21(28-15-16-8-9-16)29-24(18)31-19-6-2-3-7-20(19)34-26(22)31/h2-3,6-7,10-11,16-17H,4-5,8-9,12-15H2,1H3,(H,27,33)(H,28,29).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 59516648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).