N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide

C21H32N4O2 — CID 98066361

IUPACN-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide
SMILESCCn1c([C@@H](CC(C)C)NC(=O)C2CCC(OC)CC2)nc2cccnc21
InChIInChI=1S/C21H32N4O2/c1-5-25-19-17(7-6-12-22-19)23-20(25)18(13-14(2)3)24-21(26)15-8-10-16(27-4)11-9-15/h6-7,12,14-16,18H,5,8-11,13H2,1-4H3,(H,24,26)/t15?,16?,18-/m1/s1
InChIKeyFKLBHNDLOFBERH-LEOMRAHMSA-N
MW372.51 g/mol
LogP3.86
Rot. Bonds7

About N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide

N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 98066361) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID98066361
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide
SMILESCCn1c([C@@H](CC(C)C)NC(=O)C2CCC(OC)CC2)nc2cccnc21
InChIInChI=1S/C21H32N4O2/c1-5-25-19-17(7-6-12-22-19)23-20(25)18(13-14(2)3)24-21(26)15-8-10-16(27-4)11-9-15/h6-7,12,14-16,18H,5,8-11,13H2,1-4H3,(H,24,26)/t15?,16?,18-/m1/s1
InChIKeyFKLBHNDLOFBERH-LEOMRAHMSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide (CID 98066361) is N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide is CCn1c([C@@H](CC(C)C)NC(=O)C2CCC(OC)CC2)nc2cccnc21.
What is the InChIKey of N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is FKLBHNDLOFBERH-LEOMRAHMSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-5-25-19-17(7-6-12-22-19)23-20(25)18(13-14(2)3)24-21(26)15-8-10-16(27-4)11-9-15/h6-7,12,14-16,18H,5,8-11,13H2,1-4H3,(H,24,26)/t15?,16?,18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide?
N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 98066361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).