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

C28H36N6O3 — CID 44612232

IUPAC2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)c(C)c1
InChIInChI=1S/C28H36N6O3/c1-5-33-13-7-8-19(33)16-31-23(35)15-18-9-10-20(17(3)14-18)22-12-11-21-25(36)24(28(37)30-4)26(29)34(6-2)27(21)32-22/h9-12,14,19H,5-8,13,15-16,29H2,1-4H3,(H,30,37)(H,31,35)/t19-/m1/s1
InChIKeyUCZBUAJRJGZFIL-LJQANCHMSA-N
MW504.64 g/mol
LogP2.48
Rot. Bonds8

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

2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 44612232) 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-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID44612232
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)c(C)c1
InChIInChI=1S/C28H36N6O3/c1-5-33-13-7-8-19(33)16-31-23(35)15-18-9-10-20(17(3)14-18)22-12-11-21-25(36)24(28(37)30-4)26(29)34(6-2)27(21)32-22/h9-12,14,19H,5-8,13,15-16,29H2,1-4H3,(H,30,37)(H,31,35)/t19-/m1/s1
InChIKeyUCZBUAJRJGZFIL-LJQANCHMSA-N
XLogP2.48
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 44612232) is 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)c(C)c1.
What is the InChIKey of 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UCZBUAJRJGZFIL-LJQANCHMSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-5-33-13-7-8-19(33)16-31-23(35)15-18-9-10-20(17(3)14-18)22-12-11-21-25(36)24(28(37)30-4)26(29)34(6-2)27(21)32-22/h9-12,14,19H,5-8,13,15-16,29H2,1-4H3,(H,30,37)(H,31,35)/t19-/m1/s1.
What are the key properties of 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).