ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate

C24H28N6O3 — CID 123914712

IUPACethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2ccc(NCC3(c4ncccc4C)CCC3)nc2)cn1C
InChIInChI=1S/C24H28N6O3/c1-4-33-23(32)21-28-19(14-30(21)3)29-22(31)17-8-9-18(26-13-17)27-15-24(10-6-11-24)20-16(2)7-5-12-25-20/h5,7-9,12-14H,4,6,10-11,15H2,1-3H3,(H,26,27)(H,29,31)
InChIKeyFWPQTFDFPPJYJX-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.48
Rot. Bonds8

About ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate

ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate (PubChem CID 123914712) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate
PubChem CID123914712
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Nameethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2ccc(NCC3(c4ncccc4C)CCC3)nc2)cn1C
InChIInChI=1S/C24H28N6O3/c1-4-33-23(32)21-28-19(14-30(21)3)29-22(31)17-8-9-18(26-13-17)27-15-24(10-6-11-24)20-16(2)7-5-12-25-20/h5,7-9,12-14H,4,6,10-11,15H2,1-3H3,(H,26,27)(H,29,31)
InChIKeyFWPQTFDFPPJYJX-UHFFFAOYSA-N
XLogP3.48
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
methyl 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
N-ethoxy-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 175745710
ethyl 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridine-3-carboxylate
CID 32800686
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109153832

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate (CID 123914712) is ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate is CCOC(=O)c1nc(NC(=O)c2ccc(NCC3(c4ncccc4C)CCC3)nc2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate?
The InChIKey is FWPQTFDFPPJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-4-33-23(32)21-28-19(14-30(21)3)29-22(31)17-8-9-18(26-13-17)27-15-24(10-6-11-24)20-16(2)7-5-12-25-20/h5,7-9,12-14H,4,6,10-11,15H2,1-3H3,(H,26,27)(H,29,31).
What are the key properties of ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate?
ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate has a molecular weight of 448.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate is sourced from PubChem (CID 123914712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).