2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C30H38N6O3 — CID 44611997

IUPAC2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(C4CCCC4)c3n2)cc1
InChIInChI=1S/C30H38N6O3/c1-3-35-16-6-9-22(35)18-33-25(37)17-19-10-12-20(13-11-19)24-15-14-23-27(38)26(30(39)32-2)28(31)36(29(23)34-24)21-7-4-5-8-21/h10-15,21-22H,3-9,16-18,31H2,1-2H3,(H,32,39)(H,33,37)
InChIKeyGEDAFXODDAVRBK-UHFFFAOYSA-N
MW530.67 g/mol
LogP3.26
Rot. Bonds8

About 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 44611997) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID44611997
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC Name2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(C4CCCC4)c3n2)cc1
InChIInChI=1S/C30H38N6O3/c1-3-35-16-6-9-22(35)18-33-25(37)17-19-10-12-20(13-11-19)24-15-14-23-27(38)26(30(39)32-2)28(31)36(29(23)34-24)21-7-4-5-8-21/h10-15,21-22H,3-9,16-18,31H2,1-2H3,(H,32,39)(H,33,37)
InChIKeyGEDAFXODDAVRBK-UHFFFAOYSA-N
XLogP3.26
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 44611997) is 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCN1CCCC1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(C4CCCC4)c3n2)cc1.
What is the InChIKey of 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GEDAFXODDAVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-3-35-16-6-9-22(35)18-33-25(37)17-19-10-12-20(13-11-19)24-15-14-23-27(38)26(30(39)32-2)28(31)36(29(23)34-24)21-7-4-5-8-21/h10-15,21-22H,3-9,16-18,31H2,1-2H3,(H,32,39)(H,33,37).
What are the key properties of 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44611997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).