N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide

C22H26N4O2 — CID 122572829

IUPACN-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCOCC1(CNC(=O)c2cccc(-c3cnc4nc(C)[nH]c4c3)c2)CCCC1
InChIInChI=1S/C22H26N4O2/c1-15-25-19-11-18(12-23-20(19)26-15)16-6-5-7-17(10-16)21(27)24-13-22(14-28-2)8-3-4-9-22/h5-7,10-12H,3-4,8-9,13-14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYEGMLZDZSCLISE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.87
Rot. Bonds6

About N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide

N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 122572829) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID122572829
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCOCC1(CNC(=O)c2cccc(-c3cnc4nc(C)[nH]c4c3)c2)CCCC1
InChIInChI=1S/C22H26N4O2/c1-15-25-19-11-18(12-23-20(19)26-15)16-6-5-7-17(10-16)21(27)24-13-22(14-28-2)8-3-4-9-22/h5-7,10-12H,3-4,8-9,13-14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYEGMLZDZSCLISE-UHFFFAOYSA-N
XLogP3.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide
CID 137001737
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 72927700
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 120887377
2-(ethylamino)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 72843561
3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 122572829) is N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide is COCC1(CNC(=O)c2cccc(-c3cnc4nc(C)[nH]c4c3)c2)CCCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is YEGMLZDZSCLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-25-19-11-18(12-23-20(19)26-15)16-6-5-7-17(10-16)21(27)24-13-22(14-28-2)8-3-4-9-22/h5-7,10-12H,3-4,8-9,13-14H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 122572829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).