N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide

C15H21N3O — CID 177235589

IUPACN-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide
SMILESCCCC(=O)N(CC#Cc1ccc(N)cn1)CCC
InChIInChI=1S/C15H21N3O/c1-3-6-15(19)18(10-4-2)11-5-7-14-9-8-13(16)12-17-14/h8-9,12H,3-4,6,10-11,16H2,1-2H3
InChIKeyUVOMLVLEJMBCBN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.05
Rot. Bonds5

About N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide

N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide (PubChem CID 177235589) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide.

Molecular Properties

Compound NameN-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide
PubChem CID177235589
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide
SMILESCCCC(=O)N(CC#Cc1ccc(N)cn1)CCC
InChIInChI=1S/C15H21N3O/c1-3-6-15(19)18(10-4-2)11-5-7-14-9-8-13(16)12-17-14/h8-9,12H,3-4,6,10-11,16H2,1-2H3
InChIKeyUVOMLVLEJMBCBN-UHFFFAOYSA-N
XLogP2.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 81317233
6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 59853066
2-(5-amino-2-pyridinyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 120624579
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
3-(4-aminophenyl)-N-propyl-N-prop-2-ynylbutanamide
CID 104502911
N-(6-amino-3-pyridinyl)-N',N'-dipropylbutanediamide
CID 119515057
N-(2-amino-2-oxoethyl)-N-propylbutanamide
CID 57237794
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848
1-[3-(5-amino-2-pyridinyl)prop-2-ynyl]pyrrolidine-2,5-dione
CID 177235683
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
CID 46988385

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide?
The IUPAC name of N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide (CID 177235589) is N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide.
What is the SMILES notation for N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide?
The canonical SMILES for N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide is CCCC(=O)N(CC#Cc1ccc(N)cn1)CCC.
What is the InChIKey of N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide?
The InChIKey is UVOMLVLEJMBCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-6-15(19)18(10-4-2)11-5-7-14-9-8-13(16)12-17-14/h8-9,12H,3-4,6,10-11,16H2,1-2H3.
What are the key properties of N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide?
N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide is sourced from PubChem (CID 177235589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).