2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide

C14H23N3O — CID 54873763

IUPAC2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)13(15)14(18)17(11(3)4)9-12-6-5-7-16-8-12/h5-8,10-11,13H,9,15H2,1-4H3
InChIKeyDFMXRMMMHGWIGG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide

2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 54873763) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID54873763
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)13(15)14(18)17(11(3)4)9-12-6-5-7-16-8-12/h5-8,10-11,13H,9,15H2,1-4H3
InChIKeyDFMXRMMMHGWIGG-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-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
2-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide
CID 54873824
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
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
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
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
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide (CID 54873763) is 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide is CC(C)C(N)C(=O)N(Cc1cccnc1)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is DFMXRMMMHGWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13(15)14(18)17(11(3)4)9-12-6-5-7-16-8-12/h5-8,10-11,13H,9,15H2,1-4H3.
What are the key properties of 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide?
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide 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 2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 54873763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).