4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide

C20H26N2O4 — CID 169421708

IUPAC4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)NCC(C)Oc1cccnc1
InChIInChI=1S/C20H26N2O4/c1-13(2)7-8-16-10-14(3)18(20(24)26-16)19(23)22-11-15(4)25-17-6-5-9-21-12-17/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,22,23)
InChIKeyMXEXUTFQWXENSU-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.13
Rot. Bonds8

About 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide

4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide (PubChem CID 169421708) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
PubChem CID169421708
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)NCC(C)Oc1cccnc1
InChIInChI=1S/C20H26N2O4/c1-13(2)7-8-16-10-14(3)18(20(24)26-16)19(23)22-11-15(4)25-17-6-5-9-21-12-17/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,22,23)
InChIKeyMXEXUTFQWXENSU-UHFFFAOYSA-N
XLogP3.13
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
CID 170512843
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 135114402
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169411291
3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
CID 125445501
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide
CID 154230606
1-(4-methoxyphenyl)-N-(2-pyridin-3-yloxypropyl)cyclopentane-1-carboxamide
CID 90649820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide (CID 169421708) is 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide is Cc1cc(CCC(C)C)oc(=O)c1C(=O)NCC(C)Oc1cccnc1.
What is the InChIKey of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide?
The InChIKey is MXEXUTFQWXENSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13(2)7-8-16-10-14(3)18(20(24)26-16)19(23)22-11-15(4)25-17-6-5-9-21-12-17/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,22,23).
What are the key properties of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide?
4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide is sourced from PubChem (CID 169421708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).