N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide

C11H16ClN3O — CID 165440257

IUPACN-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCc1ncccc1N
InChIInChI=1S/C11H16ClN3O/c1-11(2,7-12)10(16)15-6-9-8(13)4-3-5-14-9/h3-5H,6-7,13H2,1-2H3,(H,15,16)
InChIKeyNRIYRILFWVDNSL-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.54
Rot. Bonds4

About N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide

N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide (PubChem CID 165440257) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide
PubChem CID165440257
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCc1ncccc1N
InChIInChI=1S/C11H16ClN3O/c1-11(2,7-12)10(16)15-6-9-8(13)4-3-5-14-9/h3-5H,6-7,13H2,1-2H3,(H,15,16)
InChIKeyNRIYRILFWVDNSL-UHFFFAOYSA-N
XLogP1.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide
CID 82108663
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
CID 90569484
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 19429474
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680361
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide (CID 165440257) is N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NCc1ncccc1N.
What is the InChIKey of N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide?
The InChIKey is NRIYRILFWVDNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-11(2,7-12)10(16)15-6-9-8(13)4-3-5-14-9/h3-5H,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide?
N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 165440257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).