1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone

C14H16N2O — CID 83119574

IUPAC1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
SMILESC#CCN(CC1CC1)c1ccc(C(C)=O)nc1
InChIInChI=1S/C14H16N2O/c1-3-8-16(10-12-4-5-12)13-6-7-14(11(2)17)15-9-13/h1,6-7,9,12H,4-5,8,10H2,2H3
InChIKeyYLTPCGVOHITFKP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.13
Rot. Bonds5

About 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone

1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone (PubChem CID 83119574) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
PubChem CID83119574
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
SMILESC#CCN(CC1CC1)c1ccc(C(C)=O)nc1
InChIInChI=1S/C14H16N2O/c1-3-8-16(10-12-4-5-12)13-6-7-14(11(2)17)15-9-13/h1,6-7,9,12H,4-5,8,10H2,2H3
InChIKeyYLTPCGVOHITFKP-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone (CID 83119574) is 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone is C#CCN(CC1CC1)c1ccc(C(C)=O)nc1.
What is the InChIKey of 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
The InChIKey is YLTPCGVOHITFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-8-16(10-12-4-5-12)13-6-7-14(11(2)17)15-9-13/h1,6-7,9,12H,4-5,8,10H2,2H3.
What are the key properties of 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).