N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine

C25H28F2N4O2 — CID 156646549

IUPACN-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine
SMILESCNC(C)C.Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C=O)c1
InChIInChI=1S/C21H17F2N3O2.C4H11N/c1-12-4-18(26-20(28)7-13-5-16(22)9-17(23)6-13)2-3-19(12)14-8-15(11-27)21(24)25-10-14;1-4(2)5-3/h2-6,8-11H,7H2,1H3,(H2,24,25)(H,26,28);4-5H,1-3H3
InChIKeyHBSLEWDUQVEOJK-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.53
Rot. Bonds6

About N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine

N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine (PubChem CID 156646549) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine
PubChem CID156646549
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC NameN-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine
SMILESCNC(C)C.Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C=O)c1
InChIInChI=1S/C21H17F2N3O2.C4H11N/c1-12-4-18(26-20(28)7-13-5-16(22)9-17(23)6-13)2-3-19(12)14-8-15(11-27)21(24)25-10-14;1-4(2)5-3/h2-6,8-11H,7H2,1H3,(H2,24,25)(H,26,28);4-5H,1-3H3
InChIKeyHBSLEWDUQVEOJK-UHFFFAOYSA-N
XLogP4.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-cyclopentylacetamide;N-methylpropan-2-amine
CID 156646639
N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide
CID 178022405
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
3-[4-(6-amino-5-methanimidoyl-3-pyridinyl)phenyl]-N-(4-hexyl-3-methylphenyl)butanamide
CID 123928261
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide
CID 167679278
N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 46467166
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine?
The IUPAC name of N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine (CID 156646549) is N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine.
What is the SMILES notation for N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine?
The canonical SMILES for N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine is CNC(C)C.Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C=O)c1.
What is the InChIKey of N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine?
The InChIKey is HBSLEWDUQVEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2.C4H11N/c1-12-4-18(26-20(28)7-13-5-16(22)9-17(23)6-13)2-3-19(12)14-8-15(11-27)21(24)25-10-14;1-4(2)5-3/h2-6,8-11H,7H2,1H3,(H2,24,25)(H,26,28);4-5H,1-3H3.
What are the key properties of N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine?
N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine has a molecular weight of 454.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine is sourced from PubChem (CID 156646549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).