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

C19H33N7O — CID 110040840

IUPACN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide
SMILESCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2
InChIInChI=1S/C19H33N7O/c1-13-7-5-6-8-16(13)23-19(20-11-18(27)25(3)4)22-15-9-10-17-21-14(2)24-26(17)12-15/h13,15-16H,5-12H2,1-4H3,(H2,20,22,23)
InChIKeyQTOOKRRBOUJCMD-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.10
Rot. Bonds4

About N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide (PubChem CID 110040840) has the molecular formula C19H33N7O and a molecular weight of 375.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide
PubChem CID110040840
Molecular FormulaC19H33N7O
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide
SMILESCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2
InChIInChI=1S/C19H33N7O/c1-13-7-5-6-8-16(13)23-19(20-11-18(27)25(3)4)22-15-9-10-17-21-14(2)24-26(17)12-15/h13,15-16H,5-12H2,1-4H3,(H2,20,22,23)
InChIKeyQTOOKRRBOUJCMD-UHFFFAOYSA-N
XLogP1.10
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.10
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide (CID 110040840) is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-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-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide is Cc1nc2n(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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide?
The InChIKey is QTOOKRRBOUJCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O/c1-13-7-5-6-8-16(13)23-19(20-11-18(27)25(3)4)22-15-9-10-17-21-14(2)24-26(17)12-15/h13,15-16H,5-12H2,1-4H3,(H2,20,22,23).
What are the key properties of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(2-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide has a molecular weight of 375.52 g/mol, XLogP of 1.10, 4 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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 110040840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).