2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide

C11H17N5O2 — CID 54928517

IUPAC2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
SMILESCN(C)c1ncccc1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H17N5O2/c1-16(2)10-8(4-3-5-14-10)15-11(18)7(12)6-9(13)17/h3-5,7H,6,12H2,1-2H3,(H2,13,17)(H,15,18)
InChIKeyKJKNAHNSXDUFAF-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.71
Rot. Bonds5

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

2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide (PubChem CID 54928517) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
PubChem CID54928517
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
SMILESCN(C)c1ncccc1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H17N5O2/c1-16(2)10-8(4-3-5-14-10)15-11(18)7(12)6-9(13)17/h3-5,7H,6,12H2,1-2H3,(H2,13,17)(H,15,18)
InChIKeyKJKNAHNSXDUFAF-UHFFFAOYSA-N
XLogP-0.71
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
CID 60847281
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82963467
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555
2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61157183
1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopropane-1-carboxamide
CID 65463803
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide (CID 54928517) is 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide is CN(C)c1ncccc1NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide?
The InChIKey is KJKNAHNSXDUFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-16(2)10-8(4-3-5-14-10)15-11(18)7(12)6-9(13)17/h3-5,7H,6,12H2,1-2H3,(H2,13,17)(H,15,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide?
2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide has a molecular weight of 251.29 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide is sourced from PubChem (CID 54928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).