2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C30H34N8O4 — CID 67079775

IUPAC2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(N)n(CCN2CCOCC2)c2nc(-c3ccc(NC(=O)N(C)Cc4cccnc4)cc3)ccc2c1=O
InChIInChI=1S/C30H34N8O4/c1-32-29(40)25-26(39)23-9-10-24(35-28(23)38(27(25)31)13-12-37-14-16-42-17-15-37)21-5-7-22(8-6-21)34-30(41)36(2)19-20-4-3-11-33-18-20/h3-11,18H,12-17,19,31H2,1-2H3,(H,32,40)(H,34,41)
InChIKeyKPKQUPVFDLJJFS-UHFFFAOYSA-N
MW570.65 g/mol
LogP2.40
Rot. Bonds8

About 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 67079775) has the molecular formula C30H34N8O4 and a molecular weight of 570.65 g/mol. Its IUPAC name is 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID67079775
Molecular FormulaC30H34N8O4
Molecular Weight570.65 g/mol
Exact Mass570.27
IUPAC Name2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(N)n(CCN2CCOCC2)c2nc(-c3ccc(NC(=O)N(C)Cc4cccnc4)cc3)ccc2c1=O
InChIInChI=1S/C30H34N8O4/c1-32-29(40)25-26(39)23-9-10-24(35-28(23)38(27(25)31)13-12-37-14-16-42-17-15-37)21-5-7-22(8-6-21)34-30(41)36(2)19-20-4-3-11-33-18-20/h3-11,18H,12-17,19,31H2,1-2H3,(H,32,40)(H,34,41)
InChIKeyKPKQUPVFDLJJFS-UHFFFAOYSA-N
XLogP2.40
TPSA147.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.65
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-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-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 67079775) is 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CNC(=O)c1c(N)n(CCN2CCOCC2)c2nc(-c3ccc(NC(=O)N(C)Cc4cccnc4)cc3)ccc2c1=O.
What is the InChIKey of 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KPKQUPVFDLJJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O4/c1-32-29(40)25-26(39)23-9-10-24(35-28(23)38(27(25)31)13-12-37-14-16-42-17-15-37)21-5-7-22(8-6-21)34-30(41)36(2)19-20-4-3-11-33-18-20/h3-11,18H,12-17,19,31H2,1-2H3,(H,32,40)(H,34,41).
What are the key properties of 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 570.65 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 67079775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).