N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide

C37H48N8O2Si — CID 153453993

IUPACN-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C37H48N8O2Si/c1-43(2)19-16-39-37(46)36-42-34-22-28(10-13-35(34)45(36)26-47-20-21-48(3,4)5)32-23-33(30-24-38-15-14-31(30)41-32)40-29-11-8-27(9-12-29)25-44-17-6-7-18-44/h8-15,22-24H,6-7,16-21,25-26H2,1-5H3,(H,39,46)(H,40,41)
InChIKeyFQJRIJKIRLMACF-UHFFFAOYSA-N
MW664.93 g/mol
LogP6.59
Rot. Bonds14

About N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide (PubChem CID 153453993) has the molecular formula C37H48N8O2Si and a molecular weight of 664.93 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
PubChem CID153453993
Molecular FormulaC37H48N8O2Si
Molecular Weight664.93 g/mol
Exact Mass664.37
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C37H48N8O2Si/c1-43(2)19-16-39-37(46)36-42-34-22-28(10-13-35(34)45(36)26-47-20-21-48(3,4)5)32-23-33(30-24-38-15-14-31(30)41-32)40-29-11-8-27(9-12-29)25-44-17-6-7-18-44/h8-15,22-24H,6-7,16-21,25-26H2,1-5H3,(H,39,46)(H,40,41)
InChIKeyFQJRIJKIRLMACF-UHFFFAOYSA-N
XLogP6.59
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.93
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453981
tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate
CID 153454008
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 142467277
4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
CID 135372105
N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide
CID 135372770
1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
CID 135372487
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)benzamide
CID 135372873
N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
CID 100970631
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
dipotassium;tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;deuterio(fluoro)methane;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone
CID 161056699
2-[3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]propanoylamino]acetic acid
CID 142467394

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide (CID 153453993) is N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide is CN(C)CCNC(=O)c1nc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
The InChIKey is FQJRIJKIRLMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N8O2Si/c1-43(2)19-16-39-37(46)36-42-34-22-28(10-13-35(34)45(36)26-47-20-21-48(3,4)5)32-23-33(30-24-38-15-14-31(30)41-32)40-29-11-8-27(9-12-29)25-44-17-6-7-18-44/h8-15,22-24H,6-7,16-21,25-26H2,1-5H3,(H,39,46)(H,40,41).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide has a molecular weight of 664.93 g/mol, XLogP of 6.59, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 153453993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).