N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide

C19H23N3O3 — CID 109171367

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
SMILESCC(C)CCNc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C19H23N3O3/c1-13(2)5-7-20-18-10-15(6-8-21-18)19(23)22-11-14-3-4-16-17(9-14)25-12-24-16/h3-4,6,8-10,13H,5,7,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBDTDYDDZEMQRCV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.20
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide (PubChem CID 109171367) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
PubChem CID109171367
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
SMILESCC(C)CCNc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C19H23N3O3/c1-13(2)5-7-20-18-10-15(6-8-21-18)19(23)22-11-14-3-4-16-17(9-14)25-12-24-16/h3-4,6,8-10,13H,5,7,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBDTDYDDZEMQRCV-UHFFFAOYSA-N
XLogP3.20
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109157472
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171426
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170790
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109171410
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide
CID 109171451
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112522065
2-(1,3-benzodioxol-5-ylmethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 109171441
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051273

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide (CID 109171367) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide is CC(C)CCNc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
The InChIKey is BDTDYDDZEMQRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)5-7-20-18-10-15(6-8-21-18)19(23)22-11-14-3-4-16-17(9-14)25-12-24-16/h3-4,6,8-10,13H,5,7,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).