N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

C17H27N3O — CID 3041497

IUPACN-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCC1(C)C
InChIInChI=1S/C17H27N3O/c1-5-16(21)20(15-9-6-7-11-18-15)14(2)13-19-12-8-10-17(19,3)4/h6-7,9,11,14H,5,8,10,12-13H2,1-4H3
InChIKeyXLQPKSFQDGPKNI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 3041497) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID3041497
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCC1(C)C
InChIInChI=1S/C17H27N3O/c1-5-16(21)20(15-9-6-7-11-18-15)14(2)13-19-12-8-10-17(19,3)4/h6-7,9,11,14H,5,8,10,12-13H2,1-4H3
InChIKeyXLQPKSFQDGPKNI-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (CID 3041497) is N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(C)CN1CCCC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is XLQPKSFQDGPKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-16(21)20(15-9-6-7-11-18-15)14(2)13-19-12-8-10-17(19,3)4/h6-7,9,11,14H,5,8,10,12-13H2,1-4H3.
What are the key properties of N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpyrrolidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).