2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

C20H27N5O2 — CID 10499343

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1
InChIInChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23)
InChIKeyHQNJATFZQHSTTN-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.81
Rot. Bonds8

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (PubChem CID 10499343) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
PubChem CID10499343
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1
InChIInChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23)
InChIKeyHQNJATFZQHSTTN-UHFFFAOYSA-N
XLogP1.81
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (CID 10499343) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The InChIKey is HQNJATFZQHSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23).
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10499343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).