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

C18H32N8O2 — CID 110043325

IUPACN,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
SMILESCc1nc2n(n1)CCCC2N/C(=N/CC(=O)N(C)C)NCCN1CCOCC1
InChIInChI=1S/C18H32N8O2/c1-14-21-17-15(5-4-7-26(17)23-14)22-18(20-13-16(27)24(2)3)19-6-8-25-9-11-28-12-10-25/h15H,4-13H2,1-3H3,(H2,19,20,22)
InChIKeyFQWFYFNFMQQXFK-UHFFFAOYSA-N
MW392.51 g/mol
LogP-0.62
Rot. Bonds6

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

N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide (PubChem CID 110043325) has the molecular formula C18H32N8O2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
PubChem CID110043325
Molecular FormulaC18H32N8O2
Molecular Weight392.51 g/mol
Exact Mass392.26
IUPAC NameN,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
SMILESCc1nc2n(n1)CCCC2N/C(=N/CC(=O)N(C)C)NCCN1CCOCC1
InChIInChI=1S/C18H32N8O2/c1-14-21-17-15(5-4-7-26(17)23-14)22-18(20-13-16(27)24(2)3)19-6-8-25-9-11-28-12-10-25/h15H,4-13H2,1-3H3,(H2,19,20,22)
InChIKeyFQWFYFNFMQQXFK-UHFFFAOYSA-N
XLogP-0.62
TPSA99.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide with MolForge

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Related Compounds

2-[[(cyclohexylmethylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110043349
2-[[(cyclopentylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 91648161
2-[[(2-ethylhexylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043310
2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041698
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040373
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044639
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110036143
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044638
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide (CID 110043325) is N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide is Cc1nc2n(n1)CCCC2N/C(=N/CC(=O)N(C)C)NCCN1CCOCC1.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide?
The InChIKey is FQWFYFNFMQQXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N8O2/c1-14-21-17-15(5-4-7-26(17)23-14)22-18(20-13-16(27)24(2)3)19-6-8-25-9-11-28-12-10-25/h15H,4-13H2,1-3H3,(H2,19,20,22).
What are the key properties of N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide has a molecular weight of 392.51 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110043325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).