2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide

C20H31N7O2 — CID 110055840

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)c1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NCCc1ccco1)CC2
InChIInChI=1S/C20H31N7O2/c1-14(2)19-24-17-8-7-15(13-27(17)25-19)23-20(22-12-18(28)26(3)4)21-10-9-16-6-5-11-29-16/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H2,21,22,23)
InChIKeyXHRCKWYMCJTXPO-UHFFFAOYSA-N
MW401.52 g/mol
LogP1.18
Rot. Bonds7

About 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110055840) has the molecular formula C20H31N7O2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110055840
Molecular FormulaC20H31N7O2
Molecular Weight401.52 g/mol
Exact Mass401.25
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)c1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NCCc1ccco1)CC2
InChIInChI=1S/C20H31N7O2/c1-14(2)19-24-17-8-7-15(13-27(17)25-19)23-20(22-12-18(28)26(3)4)21-10-9-16-6-5-11-29-16/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H2,21,22,23)
InChIKeyXHRCKWYMCJTXPO-UHFFFAOYSA-N
XLogP1.18
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylguanidine;hydroiodide
CID 110055855
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055861
2-[[ethylamino-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041145
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 110055850
N,N-dimethyl-2-[[(1-phenylethylamino)-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110041117
2-[[(cyclohexylmethylamino)-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041157
2-[[(cyclopent-3-en-1-ylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110059657
2-[[[2-(furan-2-yl)ethylamino]-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907088
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055559
2-butyl-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110055762
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354056
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110059736

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110055840) is 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide is CC(C)c1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NCCc1ccco1)CC2.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XHRCKWYMCJTXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2/c1-14(2)19-24-17-8-7-15(13-27(17)25-19)23-20(22-12-18(28)26(3)4)21-10-9-16-6-5-11-29-16/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H2,21,22,23).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 401.52 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110055840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).