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

C28H36N6O3 — CID 44612711

IUPAC2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)cc1
InChIInChI=1S/C28H36N6O3/c1-5-33-15-7-8-20(33)17-32(4)23(35)16-18-9-11-19(12-10-18)22-14-13-21-25(36)24(28(37)30-3)26(29)34(6-2)27(21)31-22/h9-14,20H,5-8,15-17,29H2,1-4H3,(H,30,37)
InChIKeyAIDYOGLBQQTDIB-UHFFFAOYSA-N
MW504.64 g/mol
LogP2.51
Rot. Bonds8

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

2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 44612711) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID44612711
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)cc1
InChIInChI=1S/C28H36N6O3/c1-5-33-15-7-8-20(33)17-32(4)23(35)16-18-9-11-19(12-10-18)22-14-13-21-25(36)24(28(37)30-3)26(29)34(6-2)27(21)31-22/h9-14,20H,5-8,15-17,29H2,1-4H3,(H,30,37)
InChIKeyAIDYOGLBQQTDIB-UHFFFAOYSA-N
XLogP2.51
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 44612711) is 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCN1CCCC1CN(C)C(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)cc1.
What is the InChIKey of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AIDYOGLBQQTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-5-33-15-7-8-20(33)17-32(4)23(35)16-18-9-11-19(12-10-18)22-14-13-21-25(36)24(28(37)30-3)26(29)34(6-2)27(21)31-22/h9-14,20H,5-8,15-17,29H2,1-4H3,(H,30,37).
What are the key properties of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44612711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).