[3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone

C18H20ClN3O — CID 53317346

IUPAC[3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccc(Cl)cc2)cc(C(=O)N2CCCC2)c1CN
InChIInChI=1S/C18H20ClN3O/c1-12-16(11-20)15(18(23)22-8-2-3-9-22)10-17(21-12)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11,20H2,1H3
InChIKeyUMFYZANVEIVXDP-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.41
Rot. Bonds3

About [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone

[3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 53317346) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID53317346
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccc(Cl)cc2)cc(C(=O)N2CCCC2)c1CN
InChIInChI=1S/C18H20ClN3O/c1-12-16(11-20)15(18(23)22-8-2-3-9-22)10-17(21-12)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11,20H2,1H3
InChIKeyUMFYZANVEIVXDP-UHFFFAOYSA-N
XLogP3.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 53317346) is [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2ccc(Cl)cc2)cc(C(=O)N2CCCC2)c1CN.
What is the InChIKey of [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UMFYZANVEIVXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-16(11-20)15(18(23)22-8-2-3-9-22)10-17(21-12)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11,20H2,1H3.
What are the key properties of [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-6-(4-chlorophenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53317346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).