2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide

C13H20ClN3O — CID 107472859

IUPAC2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-13(2,3)7-9(8-15)12(18)17-11-10(14)5-4-6-16-11/h4-6,9H,7-8,15H2,1-3H3,(H,16,17,18)
InChIKeyXWLUDCGVWXRQPY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.68
Rot. Bonds4

About 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide (PubChem CID 107472859) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
PubChem CID107472859
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-13(2,3)7-9(8-15)12(18)17-11-10(14)5-4-6-16-11/h4-6,9H,7-8,15H2,1-3H3,(H,16,17,18)
InChIKeyXWLUDCGVWXRQPY-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
N-(3-chloro-2-pyridinyl)-2-cyanobutanamide
CID 103094355
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 65035349
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide (CID 107472859) is 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1ncccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide?
The InChIKey is XWLUDCGVWXRQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-13(2,3)7-9(8-15)12(18)17-11-10(14)5-4-6-16-11/h4-6,9H,7-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide has a molecular weight of 269.78 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107472859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).