N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide

C26H24N6O2 — CID 10983275

IUPACN-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide
SMILESNc1cccc(NC(=O)c2cccc(CCc3cccc(C(=O)Nc4cccc(N)n4)c3)c2)n1
InChIInChI=1S/C26H24N6O2/c27-21-9-3-11-23(29-21)31-25(33)19-7-1-5-17(15-19)13-14-18-6-2-8-20(16-18)26(34)32-24-12-4-10-22(28)30-24/h1-12,15-16H,13-14H2,(H3,27,29,31,33)(H3,28,30,32,34)
InChIKeyDVXGKKRBDDQIHT-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.93
Rot. Bonds7

About N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide

N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide (PubChem CID 10983275) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide
PubChem CID10983275
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide
SMILESNc1cccc(NC(=O)c2cccc(CCc3cccc(C(=O)Nc4cccc(N)n4)c3)c2)n1
InChIInChI=1S/C26H24N6O2/c27-21-9-3-11-23(29-21)31-25(33)19-7-1-5-17(15-19)13-14-18-6-2-8-20(16-18)26(34)32-24-12-4-10-22(28)30-24/h1-12,15-16H,13-14H2,(H3,27,29,31,33)(H3,28,30,32,34)
InChIKeyDVXGKKRBDDQIHT-UHFFFAOYSA-N
XLogP3.93
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide
CID 10984801
3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55261173
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
CID 90748739
1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
CID 11329889
N-(6-amino-2-pyridinyl)-2,3-dimethylbutanamide
CID 121221980
6-benzamidopyridine-2-carboxamide
CID 69135492
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide (CID 10983275) is N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide is Nc1cccc(NC(=O)c2cccc(CCc3cccc(C(=O)Nc4cccc(N)n4)c3)c2)n1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide?
The InChIKey is DVXGKKRBDDQIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c27-21-9-3-11-23(29-21)31-25(33)19-7-1-5-17(15-19)13-14-18-6-2-8-20(16-18)26(34)32-24-12-4-10-22(28)30-24/h1-12,15-16H,13-14H2,(H3,27,29,31,33)(H3,28,30,32,34).
What are the key properties of N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide?
N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 10983275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).