3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide

C13H19ClN2O — CID 63665480

IUPAC3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(c1ccncc1)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C13H19ClN2O/c1-10(11-5-7-15-8-6-11)16(4)12(17)13(2,3)9-14/h5-8,10H,9H2,1-4H3
InChIKeyCRWCLRBBAOSEQN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.87
Rot. Bonds4

About 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide

3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 63665480) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID63665480
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(c1ccncc1)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C13H19ClN2O/c1-10(11-5-7-15-8-6-11)16(4)12(17)13(2,3)9-14/h5-8,10H,9H2,1-4H3
InChIKeyCRWCLRBBAOSEQN-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 63681333
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950477
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide (CID 63665480) is 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide is CC(c1ccncc1)N(C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is CRWCLRBBAOSEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(11-5-7-15-8-6-11)16(4)12(17)13(2,3)9-14/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide?
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 63665480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).