2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C23H24N4O2 — CID 70304756

IUPAC2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(N)c3)c2)n1
InChIInChI=1S/C23H24N4O2/c1-15(2)26-23(29)21-11-5-10-20(27-21)22(28)25-14-16-6-3-7-17(12-16)18-8-4-9-19(24)13-18/h3-13,15H,14,24H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHFLAIWCZURPSLO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.40
Rot. Bonds6

About 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 70304756) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID70304756
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(N)c3)c2)n1
InChIInChI=1S/C23H24N4O2/c1-15(2)26-23(29)21-11-5-10-20(27-21)22(28)25-14-16-6-3-7-17(12-16)18-8-4-9-19(24)13-18/h3-13,15H,14,24H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHFLAIWCZURPSLO-UHFFFAOYSA-N
XLogP3.40
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70303037
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-N-propan-2-yl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 25024354
methyl (2S)-2-[[6-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]pyridine-2-carbonyl]amino]propanoate
CID 59406291
2-N-[[1-[4-(aminomethyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406350
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
2-N-[(5-methylpyrazin-2-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25023988

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 70304756) is 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(N)c3)c2)n1.
What is the InChIKey of 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is HFLAIWCZURPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)26-23(29)21-11-5-10-20(27-21)22(28)25-14-16-6-3-7-17(12-16)18-8-4-9-19(24)13-18/h3-13,15H,14,24H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 70304756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).