3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C29H35N5O3 — CID 46948251

IUPAC3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C29H35N5O3/c1-6-26-29(33(4)19-21-7-10-23(11-8-21)32(2)3)34-20-22(9-16-27(34)31-26)28(35)30-17-18-37-25-14-12-24(36-5)13-15-25/h7-16,20H,6,17-19H2,1-5H3,(H,30,35)
InChIKeyRXVGUHMZSCBDJE-UHFFFAOYSA-N
MW501.63 g/mol
LogP4.42
Rot. Bonds11

About 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948251) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948251
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C29H35N5O3/c1-6-26-29(33(4)19-21-7-10-23(11-8-21)32(2)3)34-20-22(9-16-27(34)31-26)28(35)30-17-18-37-25-14-12-24(36-5)13-15-25/h7-16,20H,6,17-19H2,1-5H3,(H,30,35)
InChIKeyRXVGUHMZSCBDJE-UHFFFAOYSA-N
XLogP4.42
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 121057790
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
CID 46948605
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide
CID 97407088

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948251) is 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RXVGUHMZSCBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-6-26-29(33(4)19-21-7-10-23(11-8-21)32(2)3)34-20-22(9-16-27(34)31-26)28(35)30-17-18-37-25-14-12-24(36-5)13-15-25/h7-16,20H,6,17-19H2,1-5H3,(H,30,35).
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).