6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide

C20H30N4O — CID 133344391

IUPAC6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(C3CC4CCC3C4)CC2)nc1
InChIInChI=1S/C20H30N4O/c1-2-7-21-20(25)17-5-6-19(22-14-17)24-10-8-23(9-11-24)18-13-15-3-4-16(18)12-15/h5-6,14-16,18H,2-4,7-13H2,1H3,(H,21,25)
InChIKeyLVDFESJDWKBEJC-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.53
Rot. Bonds5

About 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide

6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide (PubChem CID 133344391) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
PubChem CID133344391
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(C3CC4CCC3C4)CC2)nc1
InChIInChI=1S/C20H30N4O/c1-2-7-21-20(25)17-5-6-19(22-14-17)24-10-8-23(9-11-24)18-13-15-3-4-16(18)12-15/h5-6,14-16,18H,2-4,7-13H2,1H3,(H,21,25)
InChIKeyLVDFESJDWKBEJC-UHFFFAOYSA-N
XLogP2.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide with MolForge

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Related Compounds

[6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133344367
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133315644
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 133344351
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 25065476
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133342735
6-[4-(2-methylphenyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527508
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98750935
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-1-(4-fluorophenyl)-3-propylurea;molecular hydrogen
CID 162143666
6-(4-ethylpiperazin-1-yl)-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28809620
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide (CID 133344391) is 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(C3CC4CCC3C4)CC2)nc1.
What is the InChIKey of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is LVDFESJDWKBEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-7-21-20(25)17-5-6-19(22-14-17)24-10-8-23(9-11-24)18-13-15-3-4-16(18)12-15/h5-6,14-16,18H,2-4,7-13H2,1H3,(H,21,25).
What are the key properties of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133344391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).