methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate

C23H24N6O3 — CID 157185826

IUPACmethane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate
SMILESC.CCNC(=O)Nc1nc2c(-c3cc(C(=O)OC)ccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C22H20N6O3.CH4/c1-3-24-22(30)28-21-26-18-11-15(14-5-4-7-23-12-14)9-16(19(18)27-21)17-10-13(6-8-25-17)20(29)31-2;/h4-12H,3H2,1-2H3,(H3,24,26,27,28,30);1H4
InChIKeyAPCKLWODNKEXAN-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.25
Rot. Bonds5

About methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate

methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate (PubChem CID 157185826) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate
PubChem CID157185826
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Namemethane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate
SMILESC.CCNC(=O)Nc1nc2c(-c3cc(C(=O)OC)ccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C22H20N6O3.CH4/c1-3-24-22(30)28-21-26-18-11-15(14-5-4-7-23-12-14)9-16(19(18)27-21)17-10-13(6-8-25-17)20(29)31-2;/h4-12H,3H2,1-2H3,(H3,24,26,27,28,30);1H4
InChIKeyAPCKLWODNKEXAN-UHFFFAOYSA-N
XLogP4.25
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(ethylcarbamoyl)amino]-5-(pyridin-3-yl)-1H-1,3-benzodiazole-7-carboxylate
CID 9840840
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
methyl 3-[[9-(4,6-dimethylpyrimidin-2-yl)-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]methyl]-1H-indole-5-carboxylate
CID 56970421
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-8-carboxylic acid methyl ester
CID 11247947
3-[N-(2-carbomethoxybenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 11744592
methyl 3-(aminomethyl)-4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoate
CID 20725627
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
methyl 5-[[5-(1H-indole-5-carbonylamino)-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76900625
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate
CID 163408833
ethyl 4-[3-methyl-5-(2-methylprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599505

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate?
The IUPAC name of methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate (CID 157185826) is methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate.
What is the SMILES notation for methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate?
The canonical SMILES for methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate is C.CCNC(=O)Nc1nc2c(-c3cc(C(=O)OC)ccn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate?
The InChIKey is APCKLWODNKEXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3.CH4/c1-3-24-22(30)28-21-26-18-11-15(14-5-4-7-23-12-14)9-16(19(18)27-21)17-10-13(6-8-25-17)20(29)31-2;/h4-12H,3H2,1-2H3,(H3,24,26,27,28,30);1H4.
What are the key properties of methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate?
methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate is sourced from PubChem (CID 157185826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).