N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide

C25H21N7O2 — CID 143611689

IUPACN-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NCOCc4ccccn4)cc3)[nH]c2cn1)c1cccnc1
InChIInChI=1S/C25H21N7O2/c33-25(18-4-3-10-26-13-18)32-23-12-21-22(14-28-23)31-24(30-21)17-6-8-19(9-7-17)29-16-34-15-20-5-1-2-11-27-20/h1-14,29H,15-16H2,(H,30,31)(H,28,32,33)
InChIKeyYOCIOQIWSZQBOH-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.25
Rot. Bonds8

About N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide

N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 143611689) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID143611689
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC NameN-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NCOCc4ccccn4)cc3)[nH]c2cn1)c1cccnc1
InChIInChI=1S/C25H21N7O2/c33-25(18-4-3-10-26-13-18)32-23-12-21-22(14-28-23)31-24(30-21)17-6-8-19(9-7-17)29-16-34-15-20-5-1-2-11-27-20/h1-14,29H,15-16H2,(H,30,31)(H,28,32,33)
InChIKeyYOCIOQIWSZQBOH-UHFFFAOYSA-N
XLogP4.25
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55771402
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
CID 20694978
2-(4-aminophenyl)-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 23730002
N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
CID 71131023
[1-methyl-4-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]cyclohexyl] acetate
CID 11295210
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 11488738
N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide
CID 143611670
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide (CID 143611689) is N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide is O=C(Nc1cc2nc(-c3ccc(NCOCc4ccccn4)cc3)[nH]c2cn1)c1cccnc1.
What is the InChIKey of N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is YOCIOQIWSZQBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c33-25(18-4-3-10-26-13-18)32-23-12-21-22(14-28-23)31-24(30-21)17-6-8-19(9-7-17)29-16-34-15-20-5-1-2-11-27-20/h1-14,29H,15-16H2,(H,30,31)(H,28,32,33).
What are the key properties of N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide?
N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(pyridin-2-ylmethoxymethylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143611689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).