N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

C21H23N5O2 — CID 134497963

IUPACN-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCC1CC(=O)N(C)N=C1c1ccc(NC(=O)N2CCc3cnccc3C2)cc1
InChIInChI=1S/C21H23N5O2/c1-14-11-19(27)25(2)24-20(14)15-3-5-18(6-4-15)23-21(28)26-10-8-16-12-22-9-7-17(16)13-26/h3-7,9,12,14H,8,10-11,13H2,1-2H3,(H,23,28)
InChIKeyXXWMRYXUHGECEX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.87
Rot. Bonds2

About N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (PubChem CID 134497963) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
PubChem CID134497963
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCC1CC(=O)N(C)N=C1c1ccc(NC(=O)N2CCc3cnccc3C2)cc1
InChIInChI=1S/C21H23N5O2/c1-14-11-19(27)25(2)24-20(14)15-3-5-18(6-4-15)23-21(28)26-10-8-16-12-22-9-7-17(16)13-26/h3-7,9,12,14H,8,10-11,13H2,1-2H3,(H,23,28)
InChIKeyXXWMRYXUHGECEX-UHFFFAOYSA-N
XLogP2.87
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 134515911
N-[4-[(4S)-4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134515647
N-[4-[(4S)-1-cyclopropyl-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134498040
N-[4-[1-(3-hydroxypropyl)-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134516186
N-[4-[1-[2-(dimethylamino)ethyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134497868
methyl 4-[[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-4-methyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoate
CID 134501521
N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 134515896
N-[4-[1-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 155585942
N-[4-[1-[4-[3-[[3-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propanoylamino]butyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 155586007
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
N-[4-(4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134516159
(2R)-2-amino-3-[(3R)-1-[6-[5-[(4S)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-4-methyl-6-oxo-4,5-dihydropyridazin-1-yl]pentylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 155586104

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (CID 134497963) is N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is CC1CC(=O)N(C)N=C1c1ccc(NC(=O)N2CCc3cnccc3C2)cc1.
What is the InChIKey of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The InChIKey is XXWMRYXUHGECEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-11-19(27)25(2)24-20(14)15-3-5-18(6-4-15)23-21(28)26-10-8-16-12-22-9-7-17(16)13-26/h3-7,9,12,14H,8,10-11,13H2,1-2H3,(H,23,28).
What are the key properties of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 134497963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).