2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide

C12H19N3O — CID 62307698

IUPAC2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
SMILESCc1cccc(CNC(=O)C(N)C(C)C)n1
InChIInChI=1S/C12H19N3O/c1-8(2)11(13)12(16)14-7-10-6-4-5-9(3)15-10/h4-6,8,11H,7,13H2,1-3H3,(H,14,16)
InChIKeyUCQSNVZKMSHSGS-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide

2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide (PubChem CID 62307698) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
PubChem CID62307698
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
SMILESCc1cccc(CNC(=O)C(N)C(C)C)n1
InChIInChI=1S/C12H19N3O/c1-8(2)11(13)12(16)14-7-10-6-4-5-9(3)15-10/h4-6,8,11H,7,13H2,1-3H3,(H,14,16)
InChIKeyUCQSNVZKMSHSGS-UHFFFAOYSA-N
XLogP0.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylbutanamide
CID 107028117
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939038
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
CID 77144650
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide (CID 62307698) is 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide is Cc1cccc(CNC(=O)C(N)C(C)C)n1.
What is the InChIKey of 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The InChIKey is UCQSNVZKMSHSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)11(13)12(16)14-7-10-6-4-5-9(3)15-10/h4-6,8,11H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 62307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).