N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H17N3O — CID 107002399

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C14H17N3O/c1-14(2)9-11(14)13(18)17-12-7-3-5-10(16-12)6-4-8-15/h3,5,7,11H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyHAHWRFORULAJOP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.38
Rot. Bonds2

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107002399) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107002399
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C14H17N3O/c1-14(2)9-11(14)13(18)17-12-7-3-5-10(16-12)6-4-8-15/h3,5,7,11H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyHAHWRFORULAJOP-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107002399) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cccc(C#CCN)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is HAHWRFORULAJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2)9-11(14)13(18)17-12-7-3-5-10(16-12)6-4-8-15/h3,5,7,11H,8-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107002399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).