N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C25H26N6O2 — CID 143708720

IUPACN-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCNC(CC(NC(=O)c1cn(-c2cccc(C)n2)cn1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C25H26N6O2/c1-17-7-5-11-24(29-17)31-15-22(28-16-31)25(33)30-21(19-9-3-4-10-23(19)32)13-20(26-2)18-8-6-12-27-14-18/h3-12,14-16,20-21,26,32H,13H2,1-2H3,(H,30,33)
InChIKeyLSTCTJJRNAISCC-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.50
Rot. Bonds8

About N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 143708720) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID143708720
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCNC(CC(NC(=O)c1cn(-c2cccc(C)n2)cn1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C25H26N6O2/c1-17-7-5-11-24(29-17)31-15-22(28-16-31)25(33)30-21(19-9-3-4-10-23(19)32)13-20(26-2)18-8-6-12-27-14-18/h3-12,14-16,20-21,26,32H,13H2,1-2H3,(H,30,33)
InChIKeyLSTCTJJRNAISCC-UHFFFAOYSA-N
XLogP3.50
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 143907242
5-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71061074
N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
CID 1485013
1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea
CID 1485012
N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 143708568
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate
CID 71202553
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 143708720) is N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is CNC(CC(NC(=O)c1cn(-c2cccc(C)n2)cn1)c1ccccc1O)c1cccnc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is LSTCTJJRNAISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-7-5-11-24(29-17)31-15-22(28-16-31)25(33)30-21(19-9-3-4-10-23(19)32)13-20(26-2)18-8-6-12-27-14-18/h3-12,14-16,20-21,26,32H,13H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 143708720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).