3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide

C14H23N3O — CID 113307589

IUPAC3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)N(Cc1cccnc1)C(=O)C(C)(C)CN
InChIInChI=1S/C14H23N3O/c1-11(2)17(13(18)14(3,4)10-15)9-12-6-5-7-16-8-12/h5-8,11H,9-10,15H2,1-4H3
InChIKeyJNUNMEMJACOMMC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide

3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113307589) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113307589
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)N(Cc1cccnc1)C(=O)C(C)(C)CN
InChIInChI=1S/C14H23N3O/c1-11(2)17(13(18)14(3,4)10-15)9-12-6-5-7-16-8-12/h5-8,11H,9-10,15H2,1-4H3
InChIKeyJNUNMEMJACOMMC-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 60962806
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
2-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide
CID 54873824

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide (CID 113307589) is 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide is CC(C)N(Cc1cccnc1)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JNUNMEMJACOMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17(13(18)14(3,4)10-15)9-12-6-5-7-16-8-12/h5-8,11H,9-10,15H2,1-4H3.
What are the key properties of 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide?
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113307589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).