2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide

C27H21N5O2 — CID 44533591

IUPAC2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide
SMILESCc1ccc2cc(NC(=O)c3cccc(C(=O)Nc4ccc5nc(C)ccc5c4)n3)ccc2n1
InChIInChI=1S/C27H21N5O2/c1-16-6-8-18-14-20(10-12-22(18)28-16)30-26(33)24-4-3-5-25(32-24)27(34)31-21-11-13-23-19(15-21)9-7-17(2)29-23/h3-15H,1-2H3,(H,30,33)(H,31,34)
InChIKeyHTVXYKVTTVEGDS-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.30
Rot. Bonds4

About 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide (PubChem CID 44533591) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide
PubChem CID44533591
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide
SMILESCc1ccc2cc(NC(=O)c3cccc(C(=O)Nc4ccc5nc(C)ccc5c4)n3)ccc2n1
InChIInChI=1S/C27H21N5O2/c1-16-6-8-18-14-20(10-12-22(18)28-16)30-26(33)24-4-3-5-25(32-24)27(34)31-21-11-13-23-19(15-21)9-7-17(2)29-23/h3-15H,1-2H3,(H,30,33)(H,31,34)
InChIKeyHTVXYKVTTVEGDS-UHFFFAOYSA-N
XLogP5.30
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Phen-DC 3
CID 44449504
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2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
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Phen-DC6
CID 124201739
2-fluoro-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
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CID 49850874
3-fluoro-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850877
4-fluoro-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850980
N-[[4-(propylaminocarbamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 162517619
N-(2-methylquinolin-6-yl)benzamide
CID 702495
N-benzylquinoline-2-carboxamide
CID 1547970

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide (CID 44533591) is 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide is Cc1ccc2cc(NC(=O)c3cccc(C(=O)Nc4ccc5nc(C)ccc5c4)n3)ccc2n1.
What is the InChIKey of 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide?
The InChIKey is HTVXYKVTTVEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-16-6-8-18-14-20(10-12-22(18)28-16)30-26(33)24-4-3-5-25(32-24)27(34)31-21-11-13-23-19(15-21)9-7-17(2)29-23/h3-15H,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 44533591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).