N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde

C26H23F3N6O2 — CID 168930442

IUPACN-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCNc1ccc(C)c(-c2nccc(-c3ccnc(NC(C)=O)c3)n2)c1.O=Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C19H19N5O.C7H4F3NO/c1-12-4-5-15(20-3)11-16(12)19-22-9-7-17(24-19)14-6-8-21-18(10-14)23-13(2)25;8-7(9,10)6-3-5(4-12)1-2-11-6/h4-11,20H,1-3H3,(H,21,23,25);1-4H
InChIKeyBKERZTVKTZVWPP-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.43
Rot. Bonds5

About N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde

N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 168930442) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound NameN-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID168930442
Molecular FormulaC26H23F3N6O2
Molecular Weight508.50 g/mol
Exact Mass508.18
IUPAC NameN-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCNc1ccc(C)c(-c2nccc(-c3ccnc(NC(C)=O)c3)n2)c1.O=Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C19H19N5O.C7H4F3NO/c1-12-4-5-15(20-3)11-16(12)19-22-9-7-17(24-19)14-6-8-21-18(10-14)23-13(2)25;8-7(9,10)6-3-5(4-12)1-2-11-6/h4-11,20H,1-3H3,(H,21,23,25);1-4H
InChIKeyBKERZTVKTZVWPP-UHFFFAOYSA-N
XLogP5.43
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde 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-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde
CID 168929586
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 169024674
(Z,2E)-4-amino-2-(aminomethylidene)-4-cyclopropyl-N-[4-methyl-3-[4-[2-(methylamino)-4-pyridinyl]pyrimidin-2-yl]phenyl]but-3-enamide
CID 168929307
N-[4-[3-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-6-oxo-1H-pyridazin-5-yl]-2-pyridinyl]acetamide
CID 176565573
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 168930113
N-[3-[2-(2-hydroxypropan-2-yl)-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930288
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930438
N-[3-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-4-methylphenyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168930170

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde (CID 168930442) is N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde is CNc1ccc(C)c(-c2nccc(-c3ccnc(NC(C)=O)c3)n2)c1.O=Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is BKERZTVKTZVWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C7H4F3NO/c1-12-4-5-15(20-3)11-16(12)19-22-9-7-17(24-19)14-6-8-21-18(10-14)23-13(2)25;8-7(9,10)6-3-5(4-12)1-2-11-6/h4-11,20H,1-3H3,(H,21,23,25);1-4H.
What are the key properties of N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde?
N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 508.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 168930442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).