1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide

C11H16N4O2 — CID 43643152

IUPAC1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1cc(N)cc1C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-14-6-7(12)5-9(14)11(17)15-4-2-3-8(15)10(13)16/h5-6,8H,2-4,12H2,1H3,(H2,13,16)
InChIKeySXSPYKYLVJWPAF-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.30
Rot. Bonds2

About 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide

1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 43643152) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID43643152
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1cc(N)cc1C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-14-6-7(12)5-9(14)11(17)15-4-2-3-8(15)10(13)16/h5-6,8H,2-4,12H2,1H3,(H2,13,16)
InChIKeySXSPYKYLVJWPAF-UHFFFAOYSA-N
XLogP-0.30
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122802
(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 61106055
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316
(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43642458
4-(4-amino-1-methylpyrrole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099533
methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 104774354
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1-methylpyrrol-2-yl)methanone
CID 61108285
1-(5-amino-2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 54916812
methyl 1-(4-chloro-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43410189
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034397
(4-amino-1-methylpyrrol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 43643113

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide (CID 43643152) is 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide is Cn1cc(N)cc1C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is SXSPYKYLVJWPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-6-7(12)5-9(14)11(17)15-4-2-3-8(15)10(13)16/h5-6,8H,2-4,12H2,1H3,(H2,13,16).
What are the key properties of 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43643152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).