4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C20H26N4O3 — CID 55725322

IUPAC4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)c1C
InChIInChI=1S/C20H26N4O3/c1-12-11-24(7-8-27-12)17-6-5-16(9-21-17)10-22-20(26)19-13(2)18(15(4)25)14(3)23-19/h5-6,9,12,23H,7-8,10-11H2,1-4H3,(H,22,26)
InChIKeyNPBKIRMKGQYVQN-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.38
Rot. Bonds5

About 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 55725322) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID55725322
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)c1C
InChIInChI=1S/C20H26N4O3/c1-12-11-24(7-8-27-12)17-6-5-16(9-21-17)10-22-20(26)19-13(2)18(15(4)25)14(3)23-19/h5-6,9,12,23H,7-8,10-11H2,1-4H3,(H,22,26)
InChIKeyNPBKIRMKGQYVQN-UHFFFAOYSA-N
XLogP2.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55839720
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55779817
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51081215
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51084320

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 55725322) is 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NPBKIRMKGQYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12-11-24(7-8-27-12)17-6-5-16(9-21-17)10-22-20(26)19-13(2)18(15(4)25)14(3)23-19/h5-6,9,12,23H,7-8,10-11H2,1-4H3,(H,22,26).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).