N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

C26H21F3N6O2 — CID 176565448

IUPACN-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCNC(=O)c1cc(-c2cc(N)cc(-c3cc(NC(=O)c4cc(C(F)(F)F)cnn4)ccc3C)c2)ccn1
InChIInChI=1S/C26H21F3N6O2/c1-14-3-4-20(34-25(37)23-11-18(13-33-35-23)26(27,28)29)12-21(14)17-7-16(8-19(30)9-17)15-5-6-32-22(10-15)24(36)31-2/h3-13H,30H2,1-2H3,(H,31,36)(H,34,37)
InChIKeyIFSBLTDTELEOQM-UHFFFAOYSA-N
MW506.49 g/mol
LogP4.73
Rot. Bonds5

About N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 176565448) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID176565448
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC NameN-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCNC(=O)c1cc(-c2cc(N)cc(-c3cc(NC(=O)c4cc(C(F)(F)F)cnn4)ccc3C)c2)ccn1
InChIInChI=1S/C26H21F3N6O2/c1-14-3-4-20(34-25(37)23-11-18(13-33-35-23)26(27,28)29)12-21(14)17-7-16(8-19(30)9-17)15-5-6-32-22(10-15)24(36)31-2/h3-13H,30H2,1-2H3,(H,31,36)(H,34,37)
InChIKeyIFSBLTDTELEOQM-UHFFFAOYSA-N
XLogP4.73
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
N-[3-[2-[(1Z,3E)-1-amino-5-methyl-6-(methylamino)-6-oxohexa-1,3-dien-3-yl]-6-(methylamino)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565437
N-[4-methyl-3-[2-[2-[(1-methylcyclobutanecarbonyl)amino]-4-pyridinyl]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176572492
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803173
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
N-[3-(3-amino-5-fluoroisoquinolin-7-yl)-4-methylphenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 171520610
4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 171520659

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (CID 176565448) is N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is CNC(=O)c1cc(-c2cc(N)cc(-c3cc(NC(=O)c4cc(C(F)(F)F)cnn4)ccc3C)c2)ccn1.
What is the InChIKey of N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is IFSBLTDTELEOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-14-3-4-20(34-25(37)23-11-18(13-33-35-23)26(27,28)29)12-21(14)17-7-16(8-19(30)9-17)15-5-6-32-22(10-15)24(36)31-2/h3-13H,30H2,1-2H3,(H,31,36)(H,34,37).
What are the key properties of N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 176565448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).