N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid

C35H42N6O10S — CID 155540227

IUPACN-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid
SMILESCOCCOC1CCN(C(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(/C=C/c5ccc(OC)cc5)nc4)cn3C)cn2C)CC1.O=S(=O)(O)O
InChIInChI=1S/C35H40N6O6.H2O4S/c1-39-22-27(37-33(42)25-8-10-26(36-21-25)9-5-24-6-11-29(46-4)12-7-24)19-31(39)34(43)38-28-20-32(40(2)23-28)35(44)41-15-13-30(14-16-41)47-18-17-45-3;1-5(2,3)4/h5-12,19-23,30H,13-18H2,1-4H3,(H,37,42)(H,38,43);(H2,1,2,3,4)/b9-5+;
InChIKeyAXZCRNOBMYNYQO-SZKNIZGXSA-N
MW738.82 g/mol
LogP4.06
Rot. Bonds12

About N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid

N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid (PubChem CID 155540227) has the molecular formula C35H42N6O10S and a molecular weight of 738.82 g/mol. Its IUPAC name is N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid.

Molecular Properties

Compound NameN-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid
PubChem CID155540227
Molecular FormulaC35H42N6O10S
Molecular Weight738.82 g/mol
Exact Mass738.27
IUPAC NameN-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid
SMILESCOCCOC1CCN(C(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(/C=C/c5ccc(OC)cc5)nc4)cn3C)cn2C)CC1.O=S(=O)(O)O
InChIInChI=1S/C35H40N6O6.H2O4S/c1-39-22-27(37-33(42)25-8-10-26(36-21-25)9-5-24-6-11-29(46-4)12-7-24)19-31(39)34(43)38-28-20-32(40(2)23-28)35(44)41-15-13-30(14-16-41)47-18-17-45-3;1-5(2,3)4/h5-12,19-23,30H,13-18H2,1-4H3,(H,37,42)(H,38,43);(H2,1,2,3,4)/b9-5+;
InChIKeyAXZCRNOBMYNYQO-SZKNIZGXSA-N
XLogP4.06
TPSA203.55 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.82
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]-4-[[4-[(E)-2-(4-methoxyphenyl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 155557108
6-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-[(2-morpholin-4-ylethylamino)methyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
CID 77277573
N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
CID 171319393
N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
CID 170326154
N-[1-methyl-5-(4-methylpiperazine-1-carbonyl)pyrrol-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]benzamide
CID 127052035
2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide
CID 67392648
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918286
tert-butyl N-[1-methyl-5-[[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamate
CID 129236892
N-[5-[(6-amino-6-iminohexyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 170326031
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118776796

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid?
The IUPAC name of N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid (CID 155540227) is N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid.
What is the SMILES notation for N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid?
The canonical SMILES for N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid is COCCOC1CCN(C(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(/C=C/c5ccc(OC)cc5)nc4)cn3C)cn2C)CC1.O=S(=O)(O)O.
What is the InChIKey of N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid?
The InChIKey is AXZCRNOBMYNYQO-SZKNIZGXSA-N. The full InChI is InChI=1S/C35H40N6O6.H2O4S/c1-39-22-27(37-33(42)25-8-10-26(36-21-25)9-5-24-6-11-29(46-4)12-7-24)19-31(39)34(43)38-28-20-32(40(2)23-28)35(44)41-15-13-30(14-16-41)47-18-17-45-3;1-5(2,3)4/h5-12,19-23,30H,13-18H2,1-4H3,(H,37,42)(H,38,43);(H2,1,2,3,4)/b9-5+;.
What are the key properties of N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid?
N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid has a molecular weight of 738.82 g/mol, XLogP of 4.06, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid is sourced from PubChem (CID 155540227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).