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

C13H22N4O — CID 76893750

IUPAC2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCN(C)c1ccncc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H22N4O/c1-13(2,3)11(14)12(18)16-9-8-15-7-6-10(9)17(4)5/h6-8,11H,14H2,1-5H3,(H,16,18)
InChIKeyKLGAUVDHZMQPGQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.46
Rot. Bonds3

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

2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 76893750) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID76893750
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCN(C)c1ccncc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H22N4O/c1-13(2,3)11(14)12(18)16-9-8-15-7-6-10(9)17(4)5/h6-8,11H,14H2,1-5H3,(H,16,18)
InChIKeyKLGAUVDHZMQPGQ-UHFFFAOYSA-N
XLogP1.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.46
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
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide
CID 79797542
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 61154929
2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 76893313
(Z)-4-[[4-(dimethylamino)-3-pyridinyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169837
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
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]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide (CID 76893750) is 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide is CN(C)c1ccncc1NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is KLGAUVDHZMQPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)11(14)12(18)16-9-8-15-7-6-10(9)17(4)5/h6-8,11H,14H2,1-5H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide?
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 250.35 g/mol, XLogP of 1.46, 3 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 76893750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).