bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone

C25H24N6O — CID 67101566

IUPACbis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1NCCc1ccccn1)c1cccnc1NCCc1ccccn1
InChIInChI=1S/C25H24N6O/c32-23(21-9-5-15-28-24(21)30-17-11-19-7-1-3-13-26-19)22-10-6-16-29-25(22)31-18-12-20-8-2-4-14-27-20/h1-10,13-16H,11-12,17-18H2,(H,28,30)(H,29,31)
InChIKeyBWPNPGFVLHMCAJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.81
Rot. Bonds10

About bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone

bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone (PubChem CID 67101566) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
PubChem CID67101566
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Namebis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1NCCc1ccccn1)c1cccnc1NCCc1ccccn1
InChIInChI=1S/C25H24N6O/c32-23(21-9-5-15-28-24(21)30-17-11-19-7-1-3-13-26-19)22-10-6-16-29-25(22)31-18-12-20-8-2-4-14-27-20/h1-10,13-16H,11-12,17-18H2,(H,28,30)(H,29,31)
InChIKeyBWPNPGFVLHMCAJ-UHFFFAOYSA-N
XLogP3.81
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
6-(2-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005951
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 58869665
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
The IUPAC name of bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone (CID 67101566) is bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
The canonical SMILES for bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone is O=C(c1cccnc1NCCc1ccccn1)c1cccnc1NCCc1ccccn1.
What is the InChIKey of bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
The InChIKey is BWPNPGFVLHMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-23(21-9-5-15-28-24(21)30-17-11-19-7-1-3-13-26-19)22-10-6-16-29-25(22)31-18-12-20-8-2-4-14-27-20/h1-10,13-16H,11-12,17-18H2,(H,28,30)(H,29,31).
What are the key properties of bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone has a molecular weight of 424.51 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 67101566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).