N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide

C17H27N3O — CID 139915367

IUPACN-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(C2CCCN2C)cn1
InChIInChI=1S/C17H27N3O/c1-3-4-5-6-9-17(21)19-16-11-10-14(13-18-16)15-8-7-12-20(15)2/h10-11,13,15H,3-9,12H2,1-2H3,(H,18,19,21)
InChIKeyOOPJNRRLBQJHCE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.76
Rot. Bonds7

About N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide

N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide (PubChem CID 139915367) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide.

Molecular Properties

Compound NameN-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
PubChem CID139915367
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(C2CCCN2C)cn1
InChIInChI=1S/C17H27N3O/c1-3-4-5-6-9-17(21)19-16-11-10-14(13-18-16)15-8-7-12-20(15)2/h10-11,13,15H,3-9,12H2,1-2H3,(H,18,19,21)
InChIKeyOOPJNRRLBQJHCE-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
CID 139915368
dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540287
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide?
The IUPAC name of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide (CID 139915367) is N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide.
What is the SMILES notation for N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide?
The canonical SMILES for N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide is CCCCCCC(=O)Nc1ccc(C2CCCN2C)cn1.
What is the InChIKey of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide?
The InChIKey is OOPJNRRLBQJHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-5-6-9-17(21)19-16-11-10-14(13-18-16)15-8-7-12-20(15)2/h10-11,13,15H,3-9,12H2,1-2H3,(H,18,19,21).
What are the key properties of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide?
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide has a molecular weight of 289.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide is sourced from PubChem (CID 139915367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).