5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide

C22H16N4O3 — CID 109200730

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C22H16N4O3/c27-22(26-17-5-1-3-14-4-2-10-23-21(14)17)18-8-6-16(12-24-18)25-15-7-9-19-20(11-15)29-13-28-19/h1-12,25H,13H2,(H,26,27)
InChIKeyBYNGNUCQNVVPSC-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.35
Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109200730) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109200730
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C22H16N4O3/c27-22(26-17-5-1-3-14-4-2-10-23-21(14)17)18-8-6-16(12-24-18)25-15-7-9-19-20(11-15)29-13-28-19/h1-12,25H,13H2,(H,26,27)
InChIKeyBYNGNUCQNVVPSC-UHFFFAOYSA-N
XLogP4.35
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109359721
5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200767
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109198338
5-(cyclopropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180200
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
6-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109349300
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200554
N-(5-methyl-1,2-oxazol-3-yl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200783

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109200730) is 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is BYNGNUCQNVVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-22(26-17-5-1-3-14-4-2-10-23-21(14)17)18-8-6-16(12-24-18)25-15-7-9-19-20(11-15)29-13-28-19/h1-12,25H,13H2,(H,26,27).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109200730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).