N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C23H26N4O2 — CID 109159233

IUPACN-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)cn2)cc1
InChIInChI=1S/C23H26N4O2/c1-17(2)29-21-7-5-20(6-8-21)26-22-9-4-19(16-25-22)23(28)27(3)15-12-18-10-13-24-14-11-18/h4-11,13-14,16-17H,12,15H2,1-3H3,(H,25,26)
InChIKeyBSBYNMYJWMVHHV-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.32
Rot. Bonds8

About N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109159233) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109159233
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)cn2)cc1
InChIInChI=1S/C23H26N4O2/c1-17(2)29-21-7-5-20(6-8-21)26-22-9-4-19(16-25-22)23(28)27(3)15-12-18-10-13-24-14-11-18/h4-11,13-14,16-17H,12,15H2,1-3H3,(H,25,26)
InChIKeyBSBYNMYJWMVHHV-UHFFFAOYSA-N
XLogP4.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109159242
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109173218
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109159233) is N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is CC(C)Oc1ccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)cn2)cc1.
What is the InChIKey of N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is BSBYNMYJWMVHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(2)29-21-7-5-20(6-8-21)26-22-9-4-19(16-25-22)23(28)27(3)15-12-18-10-13-24-14-11-18/h4-11,13-14,16-17H,12,15H2,1-3H3,(H,25,26).
What are the key properties of N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109159233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).