6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide

C19H24N4O — CID 53180837

IUPAC6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O/c1-2-11-21-19(24)16-9-6-10-18(22-16)23-13-12-20-17(14-23)15-7-4-3-5-8-15/h3-10,17,20H,2,11-14H2,1H3,(H,21,24)
InChIKeyGMUNUKBPUXVCEJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.37
Rot. Bonds5

About 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide

6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide (PubChem CID 53180837) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
PubChem CID53180837
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O/c1-2-11-21-19(24)16-9-6-10-18(22-16)23-13-12-20-17(14-23)15-7-4-3-5-8-15/h3-10,17,20H,2,11-14H2,1H3,(H,21,24)
InChIKeyGMUNUKBPUXVCEJ-UHFFFAOYSA-N
XLogP2.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide?
The IUPAC name of 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide (CID 53180837) is 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide is CCCNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide?
The InChIKey is GMUNUKBPUXVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-11-21-19(24)16-9-6-10-18(22-16)23-13-12-20-17(14-23)15-7-4-3-5-8-15/h3-10,17,20H,2,11-14H2,1H3,(H,21,24).
What are the key properties of 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide?
6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 53180837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).