6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C21H34N4O2 — CID 56756600

IUPAC6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2ccc(N3CCOC(C)(C)C3)nc2)C1
InChIInChI=1S/C21H34N4O2/c1-16(2)13-24-8-7-17(14-24)11-23-20(26)18-5-6-19(22-12-18)25-9-10-27-21(3,4)15-25/h5-6,12,16-17H,7-11,13-15H2,1-4H3,(H,23,26)
InChIKeyWKEPCLPNLKZLDD-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.40
Rot. Bonds6

About 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 56756600) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID56756600
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2ccc(N3CCOC(C)(C)C3)nc2)C1
InChIInChI=1S/C21H34N4O2/c1-16(2)13-24-8-7-17(14-24)11-23-20(26)18-5-6-19(22-12-18)25-9-10-27-21(3,4)15-25/h5-6,12,16-17H,7-11,13-15H2,1-4H3,(H,23,26)
InChIKeyWKEPCLPNLKZLDD-UHFFFAOYSA-N
XLogP2.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 45240519
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 56739938
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 95190641
6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 98308295
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 95555888
6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56748549
6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593037
2-[5-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-2-pyridinyl]benzoic acid
CID 95527694
6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56862503
6-(6-methoxy-3-pyridinyl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56869814

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 56756600) is 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C)CN1CCC(CNC(=O)c2ccc(N3CCOC(C)(C)C3)nc2)C1.
What is the InChIKey of 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is WKEPCLPNLKZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-16(2)13-24-8-7-17(14-24)11-23-20(26)18-5-6-19(22-12-18)25-9-10-27-21(3,4)15-25/h5-6,12,16-17H,7-11,13-15H2,1-4H3,(H,23,26).
What are the key properties of 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56756600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).