2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide

C30H35N5O2 — CID 143685872

IUPAC2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cn3c(C(=O)NCC4CC5CC5C56CC4CC5C6)cccc3n2)cn1
InChIInChI=1S/C30H35N5O2/c1-3-23-8-7-18(14-31-23)16-34(2)29(37)25-17-35-26(5-4-6-27(35)33-25)28(36)32-15-21-9-19-11-24(19)30-12-20(21)10-22(30)13-30/h4-8,14,17,19-22,24H,3,9-13,15-16H2,1-2H3,(H,32,36)
InChIKeyJRKNKUCFRXOLMX-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.37
Rot. Bonds7

About 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide

2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 143685872) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID143685872
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cn3c(C(=O)NCC4CC5CC5C56CC4CC5C6)cccc3n2)cn1
InChIInChI=1S/C30H35N5O2/c1-3-23-8-7-18(14-31-23)16-34(2)29(37)25-17-35-26(5-4-6-27(35)33-25)28(36)32-15-21-9-19-11-24(19)30-12-20(21)10-22(30)13-30/h4-8,14,17,19-22,24H,3,9-13,15-16H2,1-2H3,(H,32,36)
InChIKeyJRKNKUCFRXOLMX-UHFFFAOYSA-N
XLogP4.37
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide with MolForge

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Related Compounds

ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
CID 143686025
1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide
CID 143685801
ethyl 2-[methyl-[[5-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]acetate
CID 70862739
2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-N-[[(2S)-6-tetracyclo[4.3.1.01,8.02,4]decanyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862663
2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 143685610
2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 143685725
N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42096663
2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 163464821
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44519791
N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862574
N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 143685778
2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 143685701

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 143685872) is 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide is CCc1ccc(CN(C)C(=O)c2cn3c(C(=O)NCC4CC5CC5C56CC4CC5C6)cccc3n2)cn1.
What is the InChIKey of 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is JRKNKUCFRXOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-3-23-8-7-18(14-31-23)16-34(2)29(37)25-17-35-26(5-4-6-27(35)33-25)28(36)32-15-21-9-19-11-24(19)30-12-20(21)10-22(30)13-30/h4-8,14,17,19-22,24H,3,9-13,15-16H2,1-2H3,(H,32,36).
What are the key properties of 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 497.64 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-ethyl-3-pyridinyl)methyl]-2-N-methyl-5-N-(6-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 143685872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).