N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine

C19H16Cl2FN3 — CID 46997511

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESFc1ccc(CN(Cc2ccncc2)Cc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C19H16Cl2FN3/c20-18-9-24-10-19(21)17(18)13-25(12-15-5-7-23-8-6-15)11-14-1-3-16(22)4-2-14/h1-10H,11-13H2
InChIKeyXWNGJGZKBPKWCH-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.12
Rot. Bonds6

About N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine

N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 46997511) has the molecular formula C19H16Cl2FN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID46997511
Molecular FormulaC19H16Cl2FN3
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESFc1ccc(CN(Cc2ccncc2)Cc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C19H16Cl2FN3/c20-18-9-24-10-19(21)17(18)13-25(12-15-5-7-23-8-6-15)11-14-1-3-16(22)4-2-14/h1-10H,11-13H2
InChIKeyXWNGJGZKBPKWCH-UHFFFAOYSA-N
XLogP5.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzylviologen
CID 14196
N,N'-4-Xylylenebis(pyridinium)
CID 3036637
4,4'-Bipyridinium, 1,1'-dibenzyl-, dichloride
CID 14195
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
2-Chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
(1R,2R,4R)-2-[6-chloro-5-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane
CID 44427411
(1R,2R,4R)-2-[6-chloro-5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane
CID 44427418
1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 1473522
4-(4-chlorobenzyl)-N-(3-pyridinylmethylene)-1-piperazinamine
CID 5343458

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine (CID 46997511) is N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine is Fc1ccc(CN(Cc2ccncc2)Cc2c(Cl)cncc2Cl)cc1.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is XWNGJGZKBPKWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3/c20-18-9-24-10-19(21)17(18)13-25(12-15-5-7-23-8-6-15)11-14-1-3-16(22)4-2-14/h1-10H,11-13H2.
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 376.26 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyridinyl)methyl]-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 46997511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).