2-amino-N-(pyridin-3-ylmethyl)butanamide

C10H15N3O — CID 43649510

IUPAC2-amino-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(N)C(=O)NCc1cccnc1
InChIInChI=1S/C10H15N3O/c1-2-9(11)10(14)13-7-8-4-3-5-12-6-8/h3-6,9H,2,7,11H2,1H3,(H,13,14)
InChIKeyMZMZKKGOQHOKAU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-N-(pyridin-3-ylmethyl)butanamide

2-amino-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 43649510) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(pyridin-3-ylmethyl)butanamide
PubChem CID43649510
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-amino-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(N)C(=O)NCc1cccnc1
InChIInChI=1S/C10H15N3O/c1-2-9(11)10(14)13-7-8-4-3-5-12-6-8/h3-6,9H,2,7,11H2,1H3,(H,13,14)
InChIKeyMZMZKKGOQHOKAU-UHFFFAOYSA-N
XLogP0.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 119860192
2-amino-3-methyl-N-(pyridin-3-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 22068505
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
CID 119872275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-amino-N-(pyridin-3-ylmethyl)butanamide (CID 43649510) is 2-amino-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N-(pyridin-3-ylmethyl)butanamide is CCC(N)C(=O)NCc1cccnc1.
What is the InChIKey of 2-amino-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is MZMZKKGOQHOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-9(11)10(14)13-7-8-4-3-5-12-6-8/h3-6,9H,2,7,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(pyridin-3-ylmethyl)butanamide?
2-amino-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 193.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 43649510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).