3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

C14H20ClN3O — CID 63679043

IUPAC3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H20ClN3O/c1-14(2,10-15)13(19)17-11-5-6-12(16-9-11)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyTWLYWINAQAWPFK-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.89
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 63679043) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID63679043
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H20ClN3O/c1-14(2,10-15)13(19)17-11-5-6-12(16-9-11)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyTWLYWINAQAWPFK-UHFFFAOYSA-N
XLogP2.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
2-amino-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 60848949
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
(2R)-2-amino-3,3-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 103928716
2,2-dimethyl-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]propanamide
CID 46053898
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 63679043) is 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is CC(C)(CCl)C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is TWLYWINAQAWPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-14(2,10-15)13(19)17-11-5-6-12(16-9-11)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 281.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 63679043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).