3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide

C12H19N3O — CID 82738689

IUPAC3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
SMILESCCc1cccnc1CNC(=O)CC(C)N
InChIInChI=1S/C12H19N3O/c1-3-10-5-4-6-14-11(10)8-15-12(16)7-9(2)13/h4-6,9H,3,7-8,13H2,1-2H3,(H,15,16)
InChIKeyUMSIFHVHYWTXBN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds5

About 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide (PubChem CID 82738689) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
PubChem CID82738689
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
SMILESCCc1cccnc1CNC(=O)CC(C)N
InChIInChI=1S/C12H19N3O/c1-3-10-5-4-6-14-11(10)8-15-12(16)7-9(2)13/h4-6,9H,3,7-8,13H2,1-2H3,(H,15,16)
InChIKeyUMSIFHVHYWTXBN-UHFFFAOYSA-N
XLogP1.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
3-amino-N-(isoquinolin-1-ylmethyl)butanamide;dihydrochloride
CID 119839728
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
(2S)-2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 82749098

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide (CID 82738689) is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide is CCc1cccnc1CNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide?
The InChIKey is UMSIFHVHYWTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-5-4-6-14-11(10)8-15-12(16)7-9(2)13/h4-6,9H,3,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide?
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 82738689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).