4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide

C12H20N4O — CID 43643546

IUPAC4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C12H20N4O/c1-15-5-3-10(4-6-15)14-12(17)11-7-9(13)8-16(11)2/h7-8,10H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyBMXKOFAGVMWCQS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.43
Rot. Bonds2

About 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide (PubChem CID 43643546) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
PubChem CID43643546
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C12H20N4O/c1-15-5-3-10(4-6-15)14-12(17)11-7-9(13)8-16(11)2/h7-8,10H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyBMXKOFAGVMWCQS-UHFFFAOYSA-N
XLogP0.43
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43644159
4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 54949762
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-amino-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106179845
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
4-amino-1-cyclopropyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139290
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide (CID 43643546) is 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide is CN1CCC(NC(=O)c2cc(N)cn2C)CC1.
What is the InChIKey of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide?
The InChIKey is BMXKOFAGVMWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-5-3-10(4-6-15)14-12(17)11-7-9(13)8-16(11)2/h7-8,10H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).