N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride

C27H29BrCl4N6O3 — CID 162324294

IUPACN-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCCNC(=O)c1ccc(NN)nc1.Cl.Cl
InChIInChI=1S/C27H27BrCl2N6O3.2ClH/c1-27(15-17-4-7-19(28)8-5-17)25(38)36(22-13-20(29)12-21(30)14-22)26(39)35(27)11-3-2-10-32-24(37)18-6-9-23(34-31)33-16-18;;/h4-9,12-14,16H,2-3,10-11,15,31H2,1H3,(H,32,37)(H,33,34);2*1H/t27-;;/m1../s1
InChIKeyUVZSNMRHCYVECM-KFSCGDPASA-N
MW707.28 g/mol
LogP6.26
Rot. Bonds10

About N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride

N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride (PubChem CID 162324294) has the molecular formula C27H29BrCl4N6O3 and a molecular weight of 707.28 g/mol. Its IUPAC name is N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride
PubChem CID162324294
Molecular FormulaC27H29BrCl4N6O3
Molecular Weight707.28 g/mol
Exact Mass704.02
IUPAC NameN-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCCNC(=O)c1ccc(NN)nc1.Cl.Cl
InChIInChI=1S/C27H27BrCl2N6O3.2ClH/c1-27(15-17-4-7-19(28)8-5-17)25(38)36(22-13-20(29)12-21(30)14-22)26(39)35(27)11-3-2-10-32-24(37)18-6-9-23(34-31)33-16-18;;/h4-9,12-14,16H,2-3,10-11,15,31H2,1H3,(H,32,37)(H,33,34);2*1H/t27-;;/m1../s1
InChIKeyUVZSNMRHCYVECM-KFSCGDPASA-N
XLogP6.26
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.28
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
CID 59075288
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 18338045
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-sulfonic acid
CID 59923705
2-[[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoic acid
CID 67390010
(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoic acid
CID 58431145
bismuth 4-[2-[4-[(5S)-5-[(4-bromophenyl)methyl]-3-(3-chloro-5-methylphenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododecane-1-carboxylic acid
CID 159978714
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-prop-2-enylimidazo[1,2-a]imidazol-6-one
CID 18337863
N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide
CID 132961626
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
4-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylbutyl 2-(dimethylamino)acetate
CID 18337903
3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
CID 18337952
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride (CID 162324294) is N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCCNC(=O)c1ccc(NN)nc1.Cl.Cl.
What is the InChIKey of N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is UVZSNMRHCYVECM-KFSCGDPASA-N. The full InChI is InChI=1S/C27H27BrCl2N6O3.2ClH/c1-27(15-17-4-7-19(28)8-5-17)25(38)36(22-13-20(29)12-21(30)14-22)26(39)35(27)11-3-2-10-32-24(37)18-6-9-23(34-31)33-16-18;;/h4-9,12-14,16H,2-3,10-11,15,31H2,1H3,(H,32,37)(H,33,34);2*1H/t27-;;/m1../s1.
What are the key properties of N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride?
N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 707.28 g/mol, XLogP of 6.26, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 162324294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).