2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide

C12H19N3O — CID 71847661

IUPAC2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccn1)N(C)C
InChIInChI=1S/C12H19N3O/c1-5-10(15(3)4)12(16)14-11-8-9(2)6-7-13-11/h6-8,10H,5H2,1-4H3,(H,13,14,16)
InChIKeyCSNASPQSYAAEIN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds4

About 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide

2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 71847661) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
PubChem CID71847661
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccn1)N(C)C
InChIInChI=1S/C12H19N3O/c1-5-10(15(3)4)12(16)14-11-8-9(2)6-7-13-11/h6-8,10H,5H2,1-4H3,(H,13,14,16)
InChIKeyCSNASPQSYAAEIN-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
2-ethyl-N-(4-methyl-2-pyridinyl)hexanamide
CID 4195795
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530624
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide?
The IUPAC name of 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide (CID 71847661) is 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide is CCC(C(=O)Nc1cc(C)ccn1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide?
The InChIKey is CSNASPQSYAAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-10(15(3)4)12(16)14-11-8-9(2)6-7-13-11/h6-8,10H,5H2,1-4H3,(H,13,14,16).
What are the key properties of 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide?
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 71847661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).