N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide

C21H37N7O — CID 110041168

IUPACN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide
SMILESCC(C)c1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2
InChIInChI=1S/C21H37N7O/c1-14(2)20-25-18-11-10-16(13-28(18)26-20)23-21(22-12-19(29)27(4)5)24-17-9-7-6-8-15(17)3/h14-17H,6-13H2,1-5H3,(H2,22,23,24)
InChIKeyUSTIGYGEUMZSNW-UHFFFAOYSA-N
MW403.58 g/mol
LogP1.92
Rot. Bonds5

About N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide (PubChem CID 110041168) has the molecular formula C21H37N7O and a molecular weight of 403.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide
PubChem CID110041168
Molecular FormulaC21H37N7O
Molecular Weight403.58 g/mol
Exact Mass403.31
IUPAC NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide
SMILESCC(C)c1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2
InChIInChI=1S/C21H37N7O/c1-14(2)20-25-18-11-10-16(13-28(18)26-20)23-21(22-12-19(29)27(4)5)24-17-9-7-6-8-15(17)3/h14-17H,6-13H2,1-5H3,(H2,22,23,24)
InChIKeyUSTIGYGEUMZSNW-UHFFFAOYSA-N
XLogP1.92
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide 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,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide (CID 110041168) is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide is CC(C)c1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide?
The InChIKey is USTIGYGEUMZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N7O/c1-14(2)20-25-18-11-10-16(13-28(18)26-20)23-21(22-12-19(29)27(4)5)24-17-9-7-6-8-15(17)3/h14-17H,6-13H2,1-5H3,(H2,22,23,24).
What are the key properties of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide has a molecular weight of 403.58 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 110041168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).