3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine

C21H23N3O — CID 70162528

IUPAC3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine
SMILESCCNc1c(C)ccnc1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-3-22-20-16(2)13-14-23-21(20)24-18-9-11-19(12-10-18)25-15-17-7-5-4-6-8-17/h4-14,22H,3,15H2,1-2H3,(H,23,24)
InChIKeyNEMGVLUOPKLEEJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.14
Rot. Bonds7

About 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine

3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine (PubChem CID 70162528) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine
PubChem CID70162528
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine
SMILESCCNc1c(C)ccnc1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-3-22-20-16(2)13-14-23-21(20)24-18-9-11-19(12-10-18)25-15-17-7-5-4-6-8-17/h4-14,22H,3,15H2,1-2H3,(H,23,24)
InChIKeyNEMGVLUOPKLEEJ-UHFFFAOYSA-N
XLogP5.14
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
CID 1475663
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901232
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CID 174705965
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
N-(4-phenylmethoxyphenoxy)ethanamine
CID 88801073
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112863831

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine (CID 70162528) is 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine is CCNc1c(C)ccnc1Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine?
The InChIKey is NEMGVLUOPKLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-22-20-16(2)13-14-23-21(20)24-18-9-11-19(12-10-18)25-15-17-7-5-4-6-8-17/h4-14,22H,3,15H2,1-2H3,(H,23,24).
What are the key properties of 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine?
3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine has a molecular weight of 333.44 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 70162528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).