4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide

C20H15F2N3O3 — CID 109212478

IUPAC4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C20H15F2N3O3/c21-13-2-3-16(15(22)8-13)25-20(26)17-9-14(5-6-23-17)24-10-12-1-4-18-19(7-12)28-11-27-18/h1-9H,10-11H2,(H,23,24)(H,25,26)
InChIKeyBDSMTILRICKGKM-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.95
Rot. Bonds5

About 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide

4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 109212478) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID109212478
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C20H15F2N3O3/c21-13-2-3-16(15(22)8-13)25-20(26)17-9-14(5-6-23-17)24-10-12-1-4-18-19(7-12)28-11-27-18/h1-9H,10-11H2,(H,23,24)(H,25,26)
InChIKeyBDSMTILRICKGKM-UHFFFAOYSA-N
XLogP3.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306600
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109120416
N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109215578
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109212480
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
CID 109212473
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211596
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109212452
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109190687

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide (CID 109212478) is 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(NCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is BDSMTILRICKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-13-2-3-16(15(22)8-13)25-20(26)17-9-14(5-6-23-17)24-10-12-1-4-18-19(7-12)28-11-27-18/h1-9H,10-11H2,(H,23,24)(H,25,26).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 3.95, 5 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-(2,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).