1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine

C18H23ClN4 — CID 134426993

IUPAC1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN4/c1-12-8-13(2)18(22-10-12)15-9-17(21-11-16(15)19)23-6-4-14(20-3)5-7-23/h8-11,14,20H,4-7H2,1-3H3
InChIKeyCPFZVOZLMWHDMQ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.60
Rot. Bonds3

About 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine

1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine (PubChem CID 134426993) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
PubChem CID134426993
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN4/c1-12-8-13(2)18(22-10-12)15-9-17(21-11-16(15)19)23-6-4-14(20-3)5-7-23/h8-11,14,20H,4-7H2,1-3H3
InChIKeyCPFZVOZLMWHDMQ-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine (CID 134426993) is 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine is CNC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1.
What is the InChIKey of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine?
The InChIKey is CPFZVOZLMWHDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-12-8-13(2)18(22-10-12)15-9-17(21-11-16(15)19)23-6-4-14(20-3)5-7-23/h8-11,14,20H,4-7H2,1-3H3.
What are the key properties of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine?
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 134426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).