N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide

C25H36N6O2 — CID 144778475

IUPACN,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(=O)[nH]n3cccnc23)c1C.CN(C)C1CCCCC1
InChIInChI=1S/C17H19N5O2.C8H17N/c1-3-18-14-7-4-6-12(11(14)2)16(23)20-10-13-15-19-8-5-9-22(15)21-17(13)24;1-9(2)8-6-4-3-5-7-8/h4-9,18H,3,10H2,1-2H3,(H,20,23)(H,21,24);8H,3-7H2,1-2H3
InChIKeyFUZRWKNRASPVHU-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.57
Rot. Bonds6

About N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide

N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide (PubChem CID 144778475) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
PubChem CID144778475
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC NameN,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(=O)[nH]n3cccnc23)c1C.CN(C)C1CCCCC1
InChIInChI=1S/C17H19N5O2.C8H17N/c1-3-18-14-7-4-6-12(11(14)2)16(23)20-10-13-15-19-8-5-9-22(15)21-17(13)24;1-9(2)8-6-4-3-5-7-8/h4-9,18H,3,10H2,1-2H3,(H,20,23)(H,21,24);8H,3-7H2,1-2H3
InChIKeyFUZRWKNRASPVHU-UHFFFAOYSA-N
XLogP3.57
TPSA94.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 130459662
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 144778418
3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
CID 130459659
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
3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 130459526
5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
CID 144654721
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 130459810
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;5-chloro-3-(ethylamino)-2-methyl-N-[(7-methyl-5-oxo-1H-triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144778406
N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144735018
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(5-hydroxy-5-methylcyclooctyl)amino]-2-methylbenzamide
CID 121381000
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
The IUPAC name of N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide (CID 144778475) is N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide.
What is the SMILES notation for N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
The canonical SMILES for N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide is CCNc1cccc(C(=O)NCc2c(=O)[nH]n3cccnc23)c1C.CN(C)C1CCCCC1.
What is the InChIKey of N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
The InChIKey is FUZRWKNRASPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.C8H17N/c1-3-18-14-7-4-6-12(11(14)2)16(23)20-10-13-15-19-8-5-9-22(15)21-17(13)24;1-9(2)8-6-4-3-5-7-8/h4-9,18H,3,10H2,1-2H3,(H,20,23)(H,21,24);8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide has a molecular weight of 452.60 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide is sourced from PubChem (CID 144778475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).