1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide

C24H28N4O4 — CID 172655358

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(CCCN(C)C(=O)c2c(C)ccn(Cc3ccc4c(c3)OCO4)c2=O)n1
InChIInChI=1S/C24H28N4O4/c1-16-8-11-27(14-19-6-7-20-21(13-19)32-15-31-20)24(30)22(16)23(29)26(4)9-5-10-28-18(3)12-17(2)25-28/h6-8,11-13H,5,9-10,14-15H2,1-4H3
InChIKeyPNFFUVMHSOLKLV-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.91
Rot. Bonds7

About 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 172655358) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID172655358
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(CCCN(C)C(=O)c2c(C)ccn(Cc3ccc4c(c3)OCO4)c2=O)n1
InChIInChI=1S/C24H28N4O4/c1-16-8-11-27(14-19-6-7-20-21(13-19)32-15-31-20)24(30)22(16)23(29)26(4)9-5-10-28-18(3)12-17(2)25-28/h6-8,11-13H,5,9-10,14-15H2,1-4H3
InChIKeyPNFFUVMHSOLKLV-UHFFFAOYSA-N
XLogP2.91
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172664857
1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxopyridine-3-carboxamide
CID 172662261
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 8559428
2-[1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxopyridine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 172657758
1-(1,3-benzodioxol-5-ylmethyl)-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172663231
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 8559427
1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172669827
1-(1,3-benzodioxol-5-ylmethyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666726
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111280255
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111280254
1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172659064
1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]pyrazine-2,3-dione
CID 95917617

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide (CID 172655358) is 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(CCCN(C)C(=O)c2c(C)ccn(Cc3ccc4c(c3)OCO4)c2=O)n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is PNFFUVMHSOLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-8-11-27(14-19-6-7-20-21(13-19)32-15-31-20)24(30)22(16)23(29)26(4)9-5-10-28-18(3)12-17(2)25-28/h6-8,11-13H,5,9-10,14-15H2,1-4H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172655358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).