3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine

C14H18N4 — CID 113424030

IUPAC3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCc2ncccc2C)c1
InChIInChI=1S/C14H18N4/c1-3-16-12-7-13(9-15-8-12)18-10-14-11(2)5-4-6-17-14/h4-9,16,18H,3,10H2,1-2H3
InChIKeySMWYWHZFNWHLCM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.83
Rot. Bonds5

About 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine

3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine (PubChem CID 113424030) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
PubChem CID113424030
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCc2ncccc2C)c1
InChIInChI=1S/C14H18N4/c1-3-16-12-7-13(9-15-8-12)18-10-14-11(2)5-4-6-17-14/h4-9,16,18H,3,10H2,1-2H3
InChIKeySMWYWHZFNWHLCM-UHFFFAOYSA-N
XLogP2.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534595
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650113
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
5-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641317
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568
N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
CID 112650045
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine (CID 113424030) is 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine is CCNc1cncc(NCc2ncccc2C)c1.
What is the InChIKey of 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine?
The InChIKey is SMWYWHZFNWHLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-16-12-7-13(9-15-8-12)18-10-14-11(2)5-4-6-17-14/h4-9,16,18H,3,10H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine?
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 113424030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).