N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide

C16H21N3O2 — CID 102821444

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2cc(C#CCN)ccn2)C1C
InChIInChI=1S/C16H21N3O2/c1-10-11(2)21-12(3)15(10)16(20)19-14-9-13(5-4-7-17)6-8-18-14/h6,8-12,15H,7,17H2,1-3H3,(H,18,19,20)
InChIKeyKCAOFMXBVCQULC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.39
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 102821444) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID102821444
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2cc(C#CCN)ccn2)C1C
InChIInChI=1S/C16H21N3O2/c1-10-11(2)21-12(3)15(10)16(20)19-14-9-13(5-4-7-17)6-8-18-14/h6,8-12,15H,7,17H2,1-3H3,(H,18,19,20)
InChIKeyKCAOFMXBVCQULC-UHFFFAOYSA-N
XLogP1.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide with MolForge

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-carboxamide
CID 102821734
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102821364
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
CID 102821114
N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65151983
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 102821444) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2cc(C#CCN)ccn2)C1C.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is KCAOFMXBVCQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-11(2)21-12(3)15(10)16(20)19-14-9-13(5-4-7-17)6-8-18-14/h6,8-12,15H,7,17H2,1-3H3,(H,18,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 102821444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).