2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide

C12H20N4O — CID 79797542

IUPAC2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C12H20N4O/c1-5-12(2,13)11(17)15-9-8-14-7-6-10(9)16(3)4/h6-8H,5,13H2,1-4H3,(H,15,17)
InChIKeyUNIMQDONTBOROM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.21
Rot. Bonds4

About 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide

2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide (PubChem CID 79797542) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide
PubChem CID79797542
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C12H20N4O/c1-5-12(2,13)11(17)15-9-8-14-7-6-10(9)16(3)4/h6-8H,5,13H2,1-4H3,(H,15,17)
InChIKeyUNIMQDONTBOROM-UHFFFAOYSA-N
XLogP1.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928632
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76893750
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
CID 79797795
(Z)-4-[[4-(dimethylamino)-3-pyridinyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169837
2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376268
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60843296
methyl 2-[[4-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 115352484
phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
CID 63374978

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide (CID 79797542) is 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cnccc1N(C)C.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide?
The InChIKey is UNIMQDONTBOROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-5-12(2,13)11(17)15-9-8-14-7-6-10(9)16(3)4/h6-8H,5,13H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide?
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide has a molecular weight of 236.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide is sourced from PubChem (CID 79797542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).