N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide

C14H17N3O — CID 102821519

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cc(C#CCN)ccn1)C1CC1
InChIInChI=1S/C14H17N3O/c1-10(12-4-5-12)14(18)17-13-9-11(3-2-7-15)6-8-16-13/h6,8-10,12H,4-5,7,15H2,1H3,(H,16,17,18)
InChIKeyXQXPSZOUBBFEMG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.38
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide (PubChem CID 102821519) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
PubChem CID102821519
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cc(C#CCN)ccn1)C1CC1
InChIInChI=1S/C14H17N3O/c1-10(12-4-5-12)14(18)17-13-9-11(3-2-7-15)6-8-16-13/h6,8-10,12H,4-5,7,15H2,1H3,(H,16,17,18)
InChIKeyXQXPSZOUBBFEMG-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-carboxamide
CID 102821734
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
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]pyridazine-4-carboxamide
CID 102821396
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2-cyclopropylpropanamide
CID 83147833
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102821444
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide (CID 102821519) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide is CC(C(=O)Nc1cc(C#CCN)ccn1)C1CC1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide?
The InChIKey is XQXPSZOUBBFEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(12-4-5-12)14(18)17-13-9-11(3-2-7-15)6-8-16-13/h6,8-10,12H,4-5,7,15H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 102821519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).