[2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone

C19H18N2O — CID 155960376

IUPAC[2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone
SMILESC#Cc1ccc(C2CCCN2C(=O)c2cc(C)ccn2)cc1
InChIInChI=1S/C19H18N2O/c1-3-15-6-8-16(9-7-15)18-5-4-12-21(18)19(22)17-13-14(2)10-11-20-17/h1,6-11,13,18H,4-5,12H2,2H3
InChIKeyLRQBJEJWQPCHGC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.35
Rot. Bonds2

About [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone

[2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone (PubChem CID 155960376) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone
PubChem CID155960376
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name[2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone
SMILESC#Cc1ccc(C2CCCN2C(=O)c2cc(C)ccn2)cc1
InChIInChI=1S/C19H18N2O/c1-3-15-6-8-16(9-7-15)18-5-4-12-21(18)19(22)17-13-14(2)10-11-20-17/h1,6-11,13,18H,4-5,12H2,2H3
InChIKeyLRQBJEJWQPCHGC-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2-pyridinyl)-[2-(4-ethynylphenyl)pyrrolidin-1-yl]methanone
CID 155961901
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
4-[2-(4-ethynylphenyl)pyrrolidine-1-carbonyl]thiophene-3-carbonitrile
CID 155961905
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123918214
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone (CID 155960376) is [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone is C#Cc1ccc(C2CCCN2C(=O)c2cc(C)ccn2)cc1.
What is the InChIKey of [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
The InChIKey is LRQBJEJWQPCHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-15-6-8-16(9-7-15)18-5-4-12-21(18)19(22)17-13-14(2)10-11-20-17/h1,6-11,13,18H,4-5,12H2,2H3.
What are the key properties of [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
[2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone has a molecular weight of 290.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethynylphenyl)pyrrolidin-1-yl]-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 155960376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).