4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide

C20H14ClN3O4 — CID 109092846

IUPAC4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccnc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H14ClN3O4/c21-13-2-1-3-14(9-13)24-20(26)16-8-12(6-7-22-16)19(25)23-15-4-5-17-18(10-15)28-11-27-17/h1-10H,11H2,(H,23,25)(H,24,26)
InChIKeyRCEIYCJFNVRMFO-UHFFFAOYSA-N
MW395.80 g/mol
LogP3.97
Rot. Bonds4

About 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide

4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092846) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109092846
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccnc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H14ClN3O4/c21-13-2-1-3-14(9-13)24-20(26)16-8-12(6-7-22-16)19(25)23-15-4-5-17-18(10-15)28-11-27-17/h1-10H,11H2,(H,23,25)(H,24,26)
InChIKeyRCEIYCJFNVRMFO-UHFFFAOYSA-N
XLogP3.97
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092712
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109220965
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091882
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
4-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086470
N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219186
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide (CID 109092846) is 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccnc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is RCEIYCJFNVRMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-13-2-1-3-14(9-13)24-20(26)16-8-12(6-7-22-16)19(25)23-15-4-5-17-18(10-15)28-11-27-17/h1-10H,11H2,(H,23,25)(H,24,26).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide?
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 395.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).