N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide

C22H21N3O2 — CID 4566604

IUPACN',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C22H21N3O2/c26-21(24-17-18-9-7-8-16-23-18)14-15-22(27)25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-13,16H,14-15,17H2,(H,24,26)
InChIKeyOUQISPQYSJXHPU-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.84
Rot. Bonds7

About N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide

N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide (PubChem CID 4566604) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
PubChem CID4566604
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C22H21N3O2/c26-21(24-17-18-9-7-8-16-23-18)14-15-22(27)25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-13,16H,14-15,17H2,(H,24,26)
InChIKeyOUQISPQYSJXHPU-UHFFFAOYSA-N
XLogP3.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
N-[3-[10-[3-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]propylamino]decylamino]propyl]-N'-(pyridin-2-ylmethyl)butanediamide;bis(2,2,2-trifluoroacetic acid)
CID 164617462
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555

Frequently Asked Questions

What is the IUPAC name of N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide?
The IUPAC name of N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide (CID 4566604) is N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide.
What is the SMILES notation for N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide?
The canonical SMILES for N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide is O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccn1.
What is the InChIKey of N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide?
The InChIKey is OUQISPQYSJXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(24-17-18-9-7-8-16-23-18)14-15-22(27)25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-13,16H,14-15,17H2,(H,24,26).
What are the key properties of N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide?
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide has a molecular weight of 359.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide is sourced from PubChem (CID 4566604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).