4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide

C21H27N7O4 — CID 86274672

IUPAC4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C21H27N7O4/c1-14(2)19(29)26-20(30)24-17-5-4-16(13-23-17)32-15-6-7-22-18(12-15)25-21(31)28-10-8-27(3)9-11-28/h4-7,12-14H,8-11H2,1-3H3,(H,22,25,31)(H2,23,24,26,29,30)
InChIKeyGOJKAVLQUVYJKE-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.35
Rot. Bonds5

About 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide

4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 86274672) has the molecular formula C21H27N7O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID86274672
Molecular FormulaC21H27N7O4
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C21H27N7O4/c1-14(2)19(29)26-20(30)24-17-5-4-16(13-23-17)32-15-6-7-22-18(12-15)25-21(31)28-10-8-27(3)9-11-28/h4-7,12-14H,8-11H2,1-3H3,(H,22,25,31)(H2,23,24,26,29,30)
InChIKeyGOJKAVLQUVYJKE-UHFFFAOYSA-N
XLogP2.35
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269489
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
CID 86275152
4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86275147
N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23152968
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide
CID 86272978
N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide
CID 90426479
N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269694
N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 141315174
2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86268065
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
CID 86272520
N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide
CID 86274671
4-[2-(dimethylamino)ethyl]-N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]piperazine-1-carboxamide
CID 23153171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide (CID 86274672) is 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide is CC(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCN(C)CC3)c2)cn1.
What is the InChIKey of 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is GOJKAVLQUVYJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O4/c1-14(2)19(29)26-20(30)24-17-5-4-16(13-23-17)32-15-6-7-22-18(12-15)25-21(31)28-10-8-27(3)9-11-28/h4-7,12-14H,8-11H2,1-3H3,(H,22,25,31)(H2,23,24,26,29,30).
What are the key properties of 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide?
4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 86274672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).