3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde

C17H19N3O — CID 145062803

IUPAC3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCc1ccc(-c2cc(C)nc(C3CCN(C=O)C3)c2)cn1
InChIInChI=1S/C17H19N3O/c1-12-3-4-14(9-18-12)16-7-13(2)19-17(8-16)15-5-6-20(10-15)11-21/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUEVRGNAXAXAOKE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds3

About 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde

3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde (PubChem CID 145062803) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
PubChem CID145062803
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCc1ccc(-c2cc(C)nc(C3CCN(C=O)C3)c2)cn1
InChIInChI=1S/C17H19N3O/c1-12-3-4-14(9-18-12)16-7-13(2)19-17(8-16)15-5-6-20(10-15)11-21/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUEVRGNAXAXAOKE-UHFFFAOYSA-N
XLogP2.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde
CID 145062838
3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde
CID 145062998
3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
CID 140789844
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 110264819
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 95834616
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
5-[2-[1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 110252459
5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 95813915

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde (CID 145062803) is 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde is Cc1ccc(-c2cc(C)nc(C3CCN(C=O)C3)c2)cn1.
What is the InChIKey of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The InChIKey is UEVRGNAXAXAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-4-14(9-18-12)16-7-13(2)19-17(8-16)15-5-6-20(10-15)11-21/h3-4,7-9,11,15H,5-6,10H2,1-2H3.
What are the key properties of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 145062803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).