2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide

C20H20N4O2 — CID 47056293

IUPAC2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCCC(=O)Nc3ccccn3)cc2c1
InChIInChI=1S/C20H20N4O2/c1-13-6-7-17-15(11-13)12-16(14(2)23-17)20(26)22-10-8-19(25)24-18-5-3-4-9-21-18/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,26)(H,21,24,25)
InChIKeyBESYVGCAFDRFLU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.01
Rot. Bonds5

About 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide

2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide (PubChem CID 47056293) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
PubChem CID47056293
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCCC(=O)Nc3ccccn3)cc2c1
InChIInChI=1S/C20H20N4O2/c1-13-6-7-17-15(11-13)12-16(14(2)23-17)20(26)22-10-8-19(25)24-18-5-3-4-9-21-18/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,26)(H,21,24,25)
InChIKeyBESYVGCAFDRFLU-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
CID 47056292
N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-(3-benzylsulfonylpropyl)-2,6-dimethylquinoline-3-carboxamide
CID 55841810
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
CID 56812703
2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
CID 55984779
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide (CID 47056293) is 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCCC(=O)Nc3ccccn3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide?
The InChIKey is BESYVGCAFDRFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-6-7-17-15(11-13)12-16(14(2)23-17)20(26)22-10-8-19(25)24-18-5-3-4-9-21-18/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,26)(H,21,24,25).
What are the key properties of 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 47056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).