N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide

C25H25F2N5O3 — CID 126485379

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCCc1cc(F)cc(F)c1Nc1cc2c(ncn2C)c(C(=O)NCc2ccc(OC)cc2OC)n1
InChIInChI=1S/C25H25F2N5O3/c1-5-14-8-16(26)9-18(27)22(14)30-21-11-19-23(29-13-32(19)2)24(31-21)25(33)28-12-15-6-7-17(34-3)10-20(15)35-4/h6-11,13H,5,12H2,1-4H3,(H,28,33)(H,30,31)
InChIKeySCSDZZXEJRDYSP-UHFFFAOYSA-N
MW481.50 g/mol
LogP4.50
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 126485379) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID126485379
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCCc1cc(F)cc(F)c1Nc1cc2c(ncn2C)c(C(=O)NCc2ccc(OC)cc2OC)n1
InChIInChI=1S/C25H25F2N5O3/c1-5-14-8-16(26)9-18(27)22(14)30-21-11-19-23(29-13-32(19)2)24(31-21)25(33)28-12-15-6-7-17(34-3)10-20(15)35-4/h6-11,13H,5,12H2,1-4H3,(H,28,33)(H,30,31)
InChIKeySCSDZZXEJRDYSP-UHFFFAOYSA-N
XLogP4.50
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
N'-[(2,4-dimethoxyphenyl)methyl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 167925450

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide (CID 126485379) is N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide is CCc1cc(F)cc(F)c1Nc1cc2c(ncn2C)c(C(=O)NCc2ccc(OC)cc2OC)n1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is SCSDZZXEJRDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-5-14-8-16(26)9-18(27)22(14)30-21-11-19-23(29-13-32(19)2)24(31-21)25(33)28-12-15-6-7-17(34-3)10-20(15)35-4/h6-11,13H,5,12H2,1-4H3,(H,28,33)(H,30,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 126485379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).