(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone

C17H18N2O — CID 102545495

IUPAC(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
SMILESCc1cc(N2CCCC2)ncc1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13-11-16(19-9-5-6-10-19)18-12-15(13)17(20)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyMGQQAJLVYLMYGV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.22
Rot. Bonds3

About (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone

(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone (PubChem CID 102545495) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
PubChem CID102545495
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
SMILESCc1cc(N2CCCC2)ncc1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13-11-16(19-9-5-6-10-19)18-12-15(13)17(20)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyMGQQAJLVYLMYGV-UHFFFAOYSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone
CID 102545672
(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
CID 822330
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 102545487
[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
CID 102545394
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid
CID 22992324
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030

Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone?
The IUPAC name of (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone (CID 102545495) is (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone is Cc1cc(N2CCCC2)ncc1C(=O)c1ccccc1.
What is the InChIKey of (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone?
The InChIKey is MGQQAJLVYLMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-11-16(19-9-5-6-10-19)18-12-15(13)17(20)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3.
What are the key properties of (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone?
(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone has a molecular weight of 266.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 102545495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).