3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine

C14H18N4 — CID 104532744

IUPAC3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2ccncc2)c1
InChIInChI=1S/C14H18N4/c1-2-5-17-13-8-14(11-16-10-13)18-9-12-3-6-15-7-4-12/h3-4,6-8,10-11,17-18H,2,5,9H2,1H3
InChIKeyAWBRIUWFWLAKKI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.91
Rot. Bonds6

About 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine

3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine (PubChem CID 104532744) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
PubChem CID104532744
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2ccncc2)c1
InChIInChI=1S/C14H18N4/c1-2-5-17-13-8-14(11-16-10-13)18-9-12-3-6-15-7-4-12/h3-4,6-8,10-11,17-18H,2,5,9H2,1H3
InChIKeyAWBRIUWFWLAKKI-UHFFFAOYSA-N
XLogP2.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080
4-[[[5-(propylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 104534184
5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532755
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
CID 104534362
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine (CID 104532744) is 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine is CCCNc1cncc(NCc2ccncc2)c1.
What is the InChIKey of 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine?
The InChIKey is AWBRIUWFWLAKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-5-17-13-8-14(11-16-10-13)18-9-12-3-6-15-7-4-12/h3-4,6-8,10-11,17-18H,2,5,9H2,1H3.
What are the key properties of 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine?
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).