4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide

C19H23N3O3 — CID 109217891

IUPAC4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H23N3O3/c1-3-4-9-22(2)15-7-8-20-16(13-15)19(23)21-14-5-6-17-18(12-14)25-11-10-24-17/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeySKLIDABJJMIETI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.34
Rot. Bonds6

About 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide

4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide (PubChem CID 109217891) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
PubChem CID109217891
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H23N3O3/c1-3-4-9-22(2)15-7-8-20-16(13-15)19(23)21-14-5-6-17-18(12-14)25-11-10-24-17/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeySKLIDABJJMIETI-UHFFFAOYSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109125639
N-(1,3-benzodioxol-5-yl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211107
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109217883
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202435
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide (CID 109217891) is 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide is CCCCN(C)c1ccnc(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide?
The InChIKey is SKLIDABJJMIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-4-9-22(2)15-7-8-20-16(13-15)19(23)21-14-5-6-17-18(12-14)25-11-10-24-17/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,23).
What are the key properties of 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide?
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109217891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).