N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide

C20H30N4O3 — CID 98271322

IUPACN-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCOC[C@@H](C)n1c(CCCC(=O)NC2CCC(O)CC2)nc2cccnc21
InChIInChI=1S/C20H30N4O3/c1-14(13-27-2)24-18(23-17-5-4-12-21-20(17)24)6-3-7-19(26)22-15-8-10-16(25)11-9-15/h4-5,12,14-16,25H,3,6-11,13H2,1-2H3,(H,22,26)/t14-,15?,16?/m1/s1
InChIKeyKOEVVNDZBVNFDE-QQFBHYJXSA-N
MW374.49 g/mol
LogP2.38
Rot. Bonds8

About N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide

N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 98271322) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID98271322
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCOC[C@@H](C)n1c(CCCC(=O)NC2CCC(O)CC2)nc2cccnc21
InChIInChI=1S/C20H30N4O3/c1-14(13-27-2)24-18(23-17-5-4-12-21-20(17)24)6-3-7-19(26)22-15-8-10-16(25)11-9-15/h4-5,12,14-16,25H,3,6-11,13H2,1-2H3,(H,22,26)/t14-,15?,16?/m1/s1
InChIKeyKOEVVNDZBVNFDE-QQFBHYJXSA-N
XLogP2.38
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 98271322) is N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide is COC[C@@H](C)n1c(CCCC(=O)NC2CCC(O)CC2)nc2cccnc21.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is KOEVVNDZBVNFDE-QQFBHYJXSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14(13-27-2)24-18(23-17-5-4-12-21-20(17)24)6-3-7-19(26)22-15-8-10-16(25)11-9-15/h4-5,12,14-16,25H,3,6-11,13H2,1-2H3,(H,22,26)/t14-,15?,16?/m1/s1.
What are the key properties of N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide?
N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 374.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 98271322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).