N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C22H25N5O2 — CID 134515896

IUPACN-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCN1N=C(c2ccc(NC(=O)N3CCc4ccncc4C3)cc2)CC(C)(C)C1=O
InChIInChI=1S/C22H25N5O2/c1-22(2)12-19(25-26(3)20(22)28)16-4-6-18(7-5-16)24-21(29)27-11-9-15-8-10-23-13-17(15)14-27/h4-8,10,13H,9,11-12,14H2,1-3H3,(H,24,29)
InChIKeyUJZJGNGTVNIIRY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.26
Rot. Bonds2

About N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 134515896) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID134515896
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCN1N=C(c2ccc(NC(=O)N3CCc4ccncc4C3)cc2)CC(C)(C)C1=O
InChIInChI=1S/C22H25N5O2/c1-22(2)12-19(25-26(3)20(22)28)16-4-6-18(7-5-16)24-21(29)27-11-9-15-8-10-23-13-17(15)14-27/h4-8,10,13H,9,11-12,14H2,1-3H3,(H,24,29)
InChIKeyUJZJGNGTVNIIRY-UHFFFAOYSA-N
XLogP3.26
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134516002
tert-butyl N-[3-[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]propyl]carbamate
CID 134515926
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 134497963
tert-butyl N-[3-[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-5-methyl-6-oxo-5-propyl-4H-pyridazin-1-yl]propyl]carbamate
CID 134515925
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
2-amino-N-[4-(1-cyclopropyl-5,5-dimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134515613
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-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123712768
N-[4-[1-(1,1-dihydroxythiane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68751511
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 134515896) is N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CN1N=C(c2ccc(NC(=O)N3CCc4ccncc4C3)cc2)CC(C)(C)C1=O.
What is the InChIKey of N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is UJZJGNGTVNIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2)12-19(25-26(3)20(22)28)16-4-6-18(7-5-16)24-21(29)27-11-9-15-8-10-23-13-17(15)14-27/h4-8,10,13H,9,11-12,14H2,1-3H3,(H,24,29).
What are the key properties of N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 134515896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).