4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C16H25N3O2 — CID 174891158

IUPAC4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(OC(C)C)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C16H25N3O2/c1-10(2)21-12-6-7-18-15(13(12)14(17)20)19-9-11(3)8-16(19,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,17,20)
InChIKeyQGTMRUMPJLFLSM-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.59
Rot. Bonds4

About 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 174891158) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID174891158
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(OC(C)C)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C16H25N3O2/c1-10(2)21-12-6-7-18-15(13(12)14(17)20)19-9-11(3)8-16(19,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,17,20)
InChIKeyQGTMRUMPJLFLSM-UHFFFAOYSA-N
XLogP2.59
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427314
4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427479
4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427325
4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 175720901
4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427244
6-bromo-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 138682211
4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427310
4-[[6-(4-ethoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427196
4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427465
2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 154406090
4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427356
4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427570

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 174891158) is 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(OC(C)C)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is QGTMRUMPJLFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)21-12-6-7-18-15(13(12)14(17)20)19-9-11(3)8-16(19,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,17,20).
What are the key properties of 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 174891158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).