N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide

C18H22N4O3 — CID 111479268

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
SMILESCc1cc(C(C)(O)CNC(=O)CCc2nc3ncccc3[nH]2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-11-9-13(12(2)25-11)18(3,24)10-20-16(23)7-6-15-21-14-5-4-8-19-17(14)22-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyVRFBBOHXGZWOGH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide (PubChem CID 111479268) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
PubChem CID111479268
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
SMILESCc1cc(C(C)(O)CNC(=O)CCc2nc3ncccc3[nH]2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-11-9-13(12(2)25-11)18(3,24)10-20-16(23)7-6-15-21-14-5-4-8-19-17(14)22-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyVRFBBOHXGZWOGH-UHFFFAOYSA-N
XLogP2.12
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111442014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111479003
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
CID 111478810
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 96518439
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
CID 96570436
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 111478935
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide (CID 111479268) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide is Cc1cc(C(C)(O)CNC(=O)CCc2nc3ncccc3[nH]2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
The InChIKey is VRFBBOHXGZWOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-9-13(12(2)25-11)18(3,24)10-20-16(23)7-6-15-21-14-5-4-8-19-17(14)22-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 111479268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).