2-amino-N-(5-methyl-3-pyridinyl)butanediamide

C10H14N4O2 — CID 103827807

IUPAC2-amino-N-(5-methyl-3-pyridinyl)butanediamide
SMILESCc1cncc(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C10H14N4O2/c1-6-2-7(5-13-4-6)14-10(16)8(11)3-9(12)15/h2,4-5,8H,3,11H2,1H3,(H2,12,15)(H,14,16)
InChIKeyDHKLYDSCGLSVCD-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.47
Rot. Bonds4

About 2-amino-N-(5-methyl-3-pyridinyl)butanediamide

2-amino-N-(5-methyl-3-pyridinyl)butanediamide (PubChem CID 103827807) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-3-pyridinyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-3-pyridinyl)butanediamide
PubChem CID103827807
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-amino-N-(5-methyl-3-pyridinyl)butanediamide
SMILESCc1cncc(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C10H14N4O2/c1-6-2-7(5-13-4-6)14-10(16)8(11)3-9(12)15/h2,4-5,8H,3,11H2,1H3,(H2,12,15)(H,14,16)
InChIKeyDHKLYDSCGLSVCD-UHFFFAOYSA-N
XLogP-0.47
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-methyl-3-pyridinyl)pent-4-enamide
CID 107585442
2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
CID 107585441
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
2-chloro-N-(5-methyl-3-pyridinyl)propanamide
CID 103881690
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
CID 107585461
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)butanediamide?
The IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)butanediamide (CID 103827807) is 2-amino-N-(5-methyl-3-pyridinyl)butanediamide.
What is the SMILES notation for 2-amino-N-(5-methyl-3-pyridinyl)butanediamide?
The canonical SMILES for 2-amino-N-(5-methyl-3-pyridinyl)butanediamide is Cc1cncc(NC(=O)C(N)CC(N)=O)c1.
What is the InChIKey of 2-amino-N-(5-methyl-3-pyridinyl)butanediamide?
The InChIKey is DHKLYDSCGLSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-2-7(5-13-4-6)14-10(16)8(11)3-9(12)15/h2,4-5,8H,3,11H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of 2-amino-N-(5-methyl-3-pyridinyl)butanediamide?
2-amino-N-(5-methyl-3-pyridinyl)butanediamide has a molecular weight of 222.25 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-3-pyridinyl)butanediamide is sourced from PubChem (CID 103827807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).