2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine

C20H21N3 — CID 82104309

IUPAC2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
SMILESCCNc1ccc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C20H21N3/c1-2-21-18-13-14-20(22-15-18)23(19-11-7-4-8-12-19)16-17-9-5-3-6-10-17/h3-15,21H,2,16H2,1H3
InChIKeyXRRKRQWPZTVDOE-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.85
Rot. Bonds6

About 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine

2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine (PubChem CID 82104309) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
PubChem CID82104309
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
SMILESCCNc1ccc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C20H21N3/c1-2-21-18-13-14-20(22-15-18)23(19-11-7-4-8-12-19)16-17-9-5-3-6-10-17/h3-15,21H,2,16H2,1H3
InChIKeyXRRKRQWPZTVDOE-UHFFFAOYSA-N
XLogP4.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113021176
N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021177
6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153077
N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113017610
5-N-ethyl-2-N,2-N-dipropylpyridine-2,5-diamine
CID 82104326
2-ethyl-N-[6-(N-ethylanilino)-3-pyridinyl]butanamide
CID 113017550
4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine
CID 112899834
6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157814
5-N-benzyl-3-N-butyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112940224
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112855406
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958395

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine?
The IUPAC name of 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine (CID 82104309) is 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine is CCNc1ccc(N(Cc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine?
The InChIKey is XRRKRQWPZTVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-21-18-13-14-20(22-15-18)23(19-11-7-4-8-12-19)16-17-9-5-3-6-10-17/h3-15,21H,2,16H2,1H3.
What are the key properties of 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine?
2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine has a molecular weight of 303.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine is sourced from PubChem (CID 82104309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).