4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide

C23H23N3O3 — CID 109212452

IUPAC4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C23H23N3O3/c1-3-17-6-4-5-15(2)22(17)26-23(27)19-12-18(9-10-24-19)25-13-16-7-8-20-21(11-16)29-14-28-20/h4-12H,3,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyJASWYZMQCSFLJK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.55
Rot. Bonds6

About 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide

4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide (PubChem CID 109212452) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
PubChem CID109212452
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C23H23N3O3/c1-3-17-6-4-5-15(2)22(17)26-23(27)19-12-18(9-10-24-19)25-13-16-7-8-20-21(11-16)29-14-28-20/h4-12H,3,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyJASWYZMQCSFLJK-UHFFFAOYSA-N
XLogP4.55
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
CID 109212473
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109212480
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212478
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370516
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
4-(1,3-benzodioxol-5-ylmethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206751
4-(1,3-benzodioxol-5-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220544
[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206408

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide (CID 109212452) is 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide?
The InChIKey is JASWYZMQCSFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-17-6-4-5-15(2)22(17)26-23(27)19-12-18(9-10-24-19)25-13-16-7-8-20-21(11-16)29-14-28-20/h4-12H,3,13-14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide?
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).