5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide

C15H21N3O — CID 62958692

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)CN(C)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C15H21N3O/c1-4-12(2)11-18(3)15(19)14-8-7-13(10-17-14)6-5-9-16/h7-8,10,12H,4,9,11,16H2,1-3H3
InChIKeyISCVCKCSTACQNO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.51
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide (PubChem CID 62958692) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
PubChem CID62958692
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)CN(C)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C15H21N3O/c1-4-12(2)11-18(3)15(19)14-8-7-13(10-17-14)6-5-9-16/h7-8,10,12H,4,9,11,16H2,1-3H3
InChIKeyISCVCKCSTACQNO-UHFFFAOYSA-N
XLogP1.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.51
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-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63228590
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62953349
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
CID 65311356
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 55152497
5-(3-aminoprop-1-ynyl)-N-pentyl-N-propan-2-ylpyridine-2-carboxamide
CID 62954876
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63209030
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-ethylamino]acetate
CID 62954701
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide (CID 62958692) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide is CCC(C)CN(C)C(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is ISCVCKCSTACQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12(2)11-18(3)15(19)14-8-7-13(10-17-14)6-5-9-16/h7-8,10,12H,4,9,11,16H2,1-3H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).