N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide

C25H24N6O2 — CID 11503083

IUPACN-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC1(C)CC(=O)NC2=C1C(NC(=O)c1cccnc1Nc1ccc3ccncc3c1)C=CN2
InChIInChI=1S/C25H24N6O2/c1-25(2)13-20(32)31-23-21(25)19(8-11-28-23)30-24(33)18-4-3-9-27-22(18)29-17-6-5-15-7-10-26-14-16(15)12-17/h3-12,14,19,28H,13H2,1-2H3,(H,27,29)(H,30,33)(H,31,32)
InChIKeyNIQVDKVSUNNLBO-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.35
Rot. Bonds4

About N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide

N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide (PubChem CID 11503083) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID11503083
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC1(C)CC(=O)NC2=C1C(NC(=O)c1cccnc1Nc1ccc3ccncc3c1)C=CN2
InChIInChI=1S/C25H24N6O2/c1-25(2)13-20(32)31-23-21(25)19(8-11-28-23)30-24(33)18-4-3-9-27-22(18)29-17-6-5-15-7-10-26-14-16(15)12-17/h3-12,14,19,28H,13H2,1-2H3,(H,27,29)(H,30,33)(H,31,32)
InChIKeyNIQVDKVSUNNLBO-UHFFFAOYSA-N
XLogP3.35
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-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

Related Compounds

N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 11682965
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11640796
N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10387796
N-[2-(2-hydroxypentanoyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 143174470
prop-1-en-2-yl N-[2-[7-[[2-(isoquinolin-7-ylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-2-oxoethyl]carbamate
CID 89199496
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498997
N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 68854281
2-(1H-indazol-6-ylamino)-N-(4-phenylphenyl)pyridine-3-carboxamide
CID 10272638
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(isoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 71577948
N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574296
N-(6-methyl-3-pyridinyl)isoquinolin-7-amine
CID 160767856
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide (CID 11503083) is N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide is CC1(C)CC(=O)NC2=C1C(NC(=O)c1cccnc1Nc1ccc3ccncc3c1)C=CN2.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
The InChIKey is NIQVDKVSUNNLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-25(2)13-20(32)31-23-21(25)19(8-11-28-23)30-24(33)18-4-3-9-27-22(18)29-17-6-5-15-7-10-26-14-16(15)12-17/h3-12,14,19,28H,13H2,1-2H3,(H,27,29)(H,30,33)(H,31,32).
What are the key properties of N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-1,4,6,8-tetrahydro-1,8-naphthyridin-4-yl)-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11503083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).