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

C19H25N5O2 — CID 17468156

IUPAC4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C
InChIInChI=1S/C19H25N5O2/c1-12-17(14(3)25)13(2)21-18(12)19(26)22-15-5-6-16(20-11-15)24-9-7-23(4)8-10-24/h5-6,11,21H,7-10H2,1-4H3,(H,22,26)
InChIKeySWMXISBFRBMPDZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.23
Rot. Bonds4

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

4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide (PubChem CID 17468156) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
PubChem CID17468156
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C
InChIInChI=1S/C19H25N5O2/c1-12-17(14(3)25)13(2)21-18(12)19(26)22-15-5-6-16(20-11-15)24-9-7-23(4)8-10-24/h5-6,11,21H,7-10H2,1-4H3,(H,22,26)
InChIKeySWMXISBFRBMPDZ-UHFFFAOYSA-N
XLogP2.23
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
propan-2-yl 2,4-dimethyl-5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 78791899
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 136543255
4-acetyl-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 46603718
4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide
CID 32838268
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-nitrobenzamide
CID 26125820
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
CID 170502948
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 24610816

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide (CID 17468156) is 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SWMXISBFRBMPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-17(14(3)25)13(2)21-18(12)19(26)22-15-5-6-16(20-11-15)24-9-7-23(4)8-10-24/h5-6,11,21H,7-10H2,1-4H3,(H,22,26).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.23, 4 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-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 17468156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).