5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine

C15H17ClFN3 — CID 104534286

IUPAC5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H17ClFN3/c1-2-5-19-12-7-13(10-18-9-12)20-8-11-3-4-15(17)14(16)6-11/h3-4,6-7,9-10,19-20H,2,5,8H2,1H3
InChIKeyBQRUQUOWYFAHEK-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.31
Rot. Bonds6

About 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine

5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104534286) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104534286
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H17ClFN3/c1-2-5-19-12-7-13(10-18-9-12)20-8-11-3-4-15(17)14(16)6-11/h3-4,6-7,9-10,19-20H,2,5,8H2,1H3
InChIKeyBQRUQUOWYFAHEK-UHFFFAOYSA-N
XLogP4.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532755
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
4-[[[5-(propylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 104534184
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
N-[(3-chloro-4-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 81144509

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine (CID 104534286) is 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is BQRUQUOWYFAHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-2-5-19-12-7-13(10-18-9-12)20-8-11-3-4-15(17)14(16)6-11/h3-4,6-7,9-10,19-20H,2,5,8H2,1H3.
What are the key properties of 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 293.77 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104534286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).