4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine

C20H28N4 — CID 175904254

IUPAC4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine
SMILESCCCCNc1cc(N)nc(-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C20H28N4/c1-2-3-10-22-18-13-19(23-20(21)14-18)17-8-6-16(7-9-17)15-24-11-4-5-12-24/h6-9,13-14H,2-5,10-12,15H2,1H3,(H3,21,22,23)
InChIKeyOXFOOMGMKCHVDS-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.14
Rot. Bonds7

About 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine

4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine (PubChem CID 175904254) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine
PubChem CID175904254
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine
SMILESCCCCNc1cc(N)nc(-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C20H28N4/c1-2-3-10-22-18-13-19(23-20(21)14-18)17-8-6-16(7-9-17)15-24-11-4-5-12-24/h6-9,13-14H,2-5,10-12,15H2,1H3,(H3,21,22,23)
InChIKeyOXFOOMGMKCHVDS-UHFFFAOYSA-N
XLogP4.14
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
2-amino-4-(butylamino)-7-phenyl-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrido[4,3-d]pyrimidin-5-one
CID 168916829
5-amino-7-(butylamino)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 58278170
3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117360432
1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
CID 83961012
6-amino-2-(butylamino)-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydropurine-8-carbaldehyde
CID 174595762
N-butyl-5-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;ethane
CID 144943977
7-N-butyl-1-[[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 146328513
N-butyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
CID 161267175
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
1-butyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036349
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine (CID 175904254) is 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine is CCCCNc1cc(N)nc(-c2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine?
The InChIKey is OXFOOMGMKCHVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-3-10-22-18-13-19(23-20(21)14-18)17-8-6-16(7-9-17)15-24-11-4-5-12-24/h6-9,13-14H,2-5,10-12,15H2,1H3,(H3,21,22,23).
What are the key properties of 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine?
4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 175904254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).