N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide

C22H26N4O3 — CID 152802846

IUPACN-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
SMILESCOC(C)CNC(=O)CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C22H26N4O3/c1-16(28-2)13-24-22(27)9-6-17-4-3-5-18(12-17)15-29-19-7-8-20(23-14-19)21-10-11-25-26-21/h3-5,7-8,10-12,14,16H,6,9,13,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySOLCTHAMZFKXPL-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.13
Rot. Bonds10

About N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide

N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide (PubChem CID 152802846) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
PubChem CID152802846
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
SMILESCOC(C)CNC(=O)CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C22H26N4O3/c1-16(28-2)13-24-22(27)9-6-17-4-3-5-18(12-17)15-29-19-7-8-20(23-14-19)21-10-11-25-26-21/h3-5,7-8,10-12,14,16H,6,9,13,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySOLCTHAMZFKXPL-UHFFFAOYSA-N
XLogP3.13
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
CID 148717921
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
ethyl 3-hydroxy-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclobutane-1-carboxylate
CID 146658371
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
CID 130360624
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)propanamide
CID 170982015

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide?
The IUPAC name of N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide (CID 152802846) is N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide.
What is the SMILES notation for N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide?
The canonical SMILES for N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide is COC(C)CNC(=O)CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide?
The InChIKey is SOLCTHAMZFKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(28-2)13-24-22(27)9-6-17-4-3-5-18(12-17)15-29-19-7-8-20(23-14-19)21-10-11-25-26-21/h3-5,7-8,10-12,14,16H,6,9,13,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide?
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide is sourced from PubChem (CID 152802846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).