N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide

C26H27N5O2 — CID 59679856

IUPACN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN1CCCCC1
InChIInChI=1S/C26H27N5O2/c1-33-23-16-18(11-12-19(23)17-31-14-5-2-6-15-31)26(32)29-21-9-4-3-8-20(21)24-28-22-10-7-13-27-25(22)30-24/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3,(H,29,32)(H,27,28,30)
InChIKeyYPAJDECQMLMJPD-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.87
Rot. Bonds6

About N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide

N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 59679856) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
PubChem CID59679856
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN1CCCCC1
InChIInChI=1S/C26H27N5O2/c1-33-23-16-18(11-12-19(23)17-31-14-5-2-6-15-31)26(32)29-21-9-4-3-8-20(21)24-28-22-10-7-13-27-25(22)30-24/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3,(H,29,32)(H,27,28,30)
InChIKeyYPAJDECQMLMJPD-UHFFFAOYSA-N
XLogP4.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 59680058
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680411
3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 143408688
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 70914499
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol
CID 71216560
3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide
CID 59680416
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide (CID 59679856) is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide is COc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN1CCCCC1.
What is the InChIKey of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is YPAJDECQMLMJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-33-23-16-18(11-12-19(23)17-31-14-5-2-6-15-31)26(32)29-21-9-4-3-8-20(21)24-28-22-10-7-13-27-25(22)30-24/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3,(H,29,32)(H,27,28,30).
What are the key properties of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide?
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 441.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 59679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).