N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine

C30H44N6O2 — CID 144778414

IUPACN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine
SMILESCCNc1cc(C)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C.CN(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C17H24N4O2.C13H20N2/c1-6-18-15-8-10(2)7-13(11(15)3)16(22)19-9-14-12(4)21(5)20-17(14)23;1-15(13-7-3-2-4-8-13)11-12-6-5-9-14-10-12/h7-8,18H,6,9H2,1-5H3,(H,19,22)(H,20,23);5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyFQYXJNDUROOZFZ-UHFFFAOYSA-N
MW520.72 g/mol
LogP4.85
Rot. Bonds8

About N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine (PubChem CID 144778414) has the molecular formula C30H44N6O2 and a molecular weight of 520.72 g/mol. Its IUPAC name is N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine
PubChem CID144778414
Molecular FormulaC30H44N6O2
Molecular Weight520.72 g/mol
Exact Mass520.35
IUPAC NameN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine
SMILESCCNc1cc(C)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C.CN(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C17H24N4O2.C13H20N2/c1-6-18-15-8-10(2)7-13(11(15)3)16(22)19-9-14-12(4)21(5)20-17(14)23;1-15(13-7-3-2-4-8-13)11-12-6-5-9-14-10-12/h7-8,18H,6,9H2,1-5H3,(H,19,22)(H,20,23);5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyFQYXJNDUROOZFZ-UHFFFAOYSA-N
XLogP4.85
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.72
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine?
The IUPAC name of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine (CID 144778414) is N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine?
The canonical SMILES for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine is CCNc1cc(C)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C.CN(Cc1cccnc1)C1CCCCC1.
What is the InChIKey of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine?
The InChIKey is FQYXJNDUROOZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C13H20N2/c1-6-18-15-8-10(2)7-13(11(15)3)16(22)19-9-14-12(4)21(5)20-17(14)23;1-15(13-7-3-2-4-8-13)11-12-6-5-9-14-10-12/h7-8,18H,6,9H2,1-5H3,(H,19,22)(H,20,23);5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine?
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine has a molecular weight of 520.72 g/mol, XLogP of 4.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine is sourced from PubChem (CID 144778414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).