2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide

C20H22N4O2 — CID 56755106

IUPAC2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)C(C)(C)n2cccc2)cn1
InChIInChI=1S/C20H22N4O2/c1-15-8-9-17(14-22-15)26-18-16(7-6-10-21-18)13-23-19(25)20(2,3)24-11-4-5-12-24/h4-12,14H,13H2,1-3H3,(H,23,25)
InChIKeySDXXXZGFGBNDMZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds6

About 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide

2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide (PubChem CID 56755106) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
PubChem CID56755106
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)C(C)(C)n2cccc2)cn1
InChIInChI=1S/C20H22N4O2/c1-15-8-9-17(14-22-15)26-18-16(7-6-10-21-18)13-23-19(25)20(2,3)24-11-4-5-12-24/h4-12,14H,13H2,1-3H3,(H,23,25)
InChIKeySDXXXZGFGBNDMZ-UHFFFAOYSA-N
XLogP3.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
3,3,3-trifluoro-2-hydroxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 56748690
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 95226722
6-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25288779
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 56742651
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine
CID 56739901
N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
CID 45240216
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 56739429
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide (CID 56755106) is 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide is Cc1ccc(Oc2ncccc2CNC(=O)C(C)(C)n2cccc2)cn1.
What is the InChIKey of 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
The InChIKey is SDXXXZGFGBNDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-8-9-17(14-22-15)26-18-16(7-6-10-21-18)13-23-19(25)20(2,3)24-11-4-5-12-24/h4-12,14H,13H2,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 56755106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).