5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine

C21H29ClN4 — CID 163746981

IUPAC5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine
SMILESCCCN1CCC(CNc2ccccc2CNc2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H29ClN4/c1-2-11-26-12-9-17(10-13-26)14-23-20-6-4-3-5-18(20)15-24-21-8-7-19(22)16-25-21/h3-8,16-17,23H,2,9-15H2,1H3,(H,24,25)
InChIKeyLMRYDJAFKZHHEC-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.88
Rot. Bonds8

About 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine

5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine (PubChem CID 163746981) has the molecular formula C21H29ClN4 and a molecular weight of 372.94 g/mol. Its IUPAC name is 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine
PubChem CID163746981
Molecular FormulaC21H29ClN4
Molecular Weight372.94 g/mol
Exact Mass372.21
IUPAC Name5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine
SMILESCCCN1CCC(CNc2ccccc2CNc2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H29ClN4/c1-2-11-26-12-9-17(10-13-26)14-23-20-6-4-3-5-18(20)15-24-21-8-7-19(22)16-25-21/h3-8,16-17,23H,2,9-15H2,1H3,(H,24,25)
InChIKeyLMRYDJAFKZHHEC-UHFFFAOYSA-N
XLogP4.88
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine (CID 163746981) is 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine is CCCN1CCC(CNc2ccccc2CNc2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine?
The InChIKey is LMRYDJAFKZHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4/c1-2-11-26-12-9-17(10-13-26)14-23-20-6-4-3-5-18(20)15-24-21-8-7-19(22)16-25-21/h3-8,16-17,23H,2,9-15H2,1H3,(H,24,25).
What are the key properties of 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine?
5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine has a molecular weight of 372.94 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 163746981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).