N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide

C22H26N4O3 — CID 167940401

IUPACN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCOc1cc(CN2CCC(NC(=O)c3cc(C)cn4ccnc34)C2)cc(OC)c1
InChIInChI=1S/C22H26N4O3/c1-15-8-20(21-23-5-7-26(21)12-15)22(27)24-17-4-6-25(14-17)13-16-9-18(28-2)11-19(10-16)29-3/h5,7-12,17H,4,6,13-14H2,1-3H3,(H,24,27)
InChIKeyZLUCELRNDNJUBM-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.66
Rot. Bonds6

About N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide

N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 167940401) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID167940401
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCOc1cc(CN2CCC(NC(=O)c3cc(C)cn4ccnc34)C2)cc(OC)c1
InChIInChI=1S/C22H26N4O3/c1-15-8-20(21-23-5-7-26(21)12-15)22(27)24-17-4-6-25(14-17)13-16-9-18(28-2)11-19(10-16)29-3/h5,7-12,17H,4,6,13-14H2,1-3H3,(H,24,27)
InChIKeyZLUCELRNDNJUBM-UHFFFAOYSA-N
XLogP2.66
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 71921942
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 139012582
1-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-[(1S,2S)-2-methylcyclopropyl]urea
CID 124777389
2-(4-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119897115
4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide
CID 119897168
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119897156
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide
CID 166301892
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
CID 98042058
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 167940401) is N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide is COc1cc(CN2CCC(NC(=O)c3cc(C)cn4ccnc34)C2)cc(OC)c1.
What is the InChIKey of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is ZLUCELRNDNJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-8-20(21-23-5-7-26(21)12-15)22(27)24-17-4-6-25(14-17)13-16-9-18(28-2)11-19(10-16)29-3/h5,7-12,17H,4,6,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide?
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 167940401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).