2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide

C11H13N3O — CID 107585441

IUPAC2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
SMILESC#CCC(N)C(=O)Nc1cncc(C)c1
InChIInChI=1S/C11H13N3O/c1-3-4-10(12)11(15)14-9-5-8(2)6-13-7-9/h1,5-7,10H,4,12H2,2H3,(H,14,15)
InChIKeyNWRQFBRYTYKIBM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide

2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide (PubChem CID 107585441) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
PubChem CID107585441
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
SMILESC#CCC(N)C(=O)Nc1cncc(C)c1
InChIInChI=1S/C11H13N3O/c1-3-4-10(12)11(15)14-9-5-8(2)6-13-7-9/h1,5-7,10H,4,12H2,2H3,(H,14,15)
InChIKeyNWRQFBRYTYKIBM-UHFFFAOYSA-N
XLogP0.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-methyl-3-pyridinyl)butanediamide
CID 103827807
2-amino-N-(5-methyl-3-pyridinyl)pent-4-enamide
CID 107585442
(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-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
CID 107585461
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
2-[5-(2-aminopent-4-ynoylamino)-2-pyridinyl]acetic acid
CID 107341014
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
CID 114052896
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide (CID 107585441) is 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide is C#CCC(N)C(=O)Nc1cncc(C)c1.
What is the InChIKey of 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide?
The InChIKey is NWRQFBRYTYKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-4-10(12)11(15)14-9-5-8(2)6-13-7-9/h1,5-7,10H,4,12H2,2H3,(H,14,15).
What are the key properties of 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide?
2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide has a molecular weight of 203.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide is sourced from PubChem (CID 107585441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).