N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

C13H20N4O2 — CID 115316691

IUPACN-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESCNCC1CCCN1CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H20N4O2/c1-14-8-10-4-3-7-17(10)9-12(18)16-13(19)11-5-2-6-15-11/h2,5-6,10,14-15H,3-4,7-9H2,1H3,(H,16,18,19)
InChIKeyIDNACFJYMVUEDV-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.05
Rot. Bonds5

About N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 115316691) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID115316691
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESCNCC1CCCN1CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H20N4O2/c1-14-8-10-4-3-7-17(10)9-12(18)16-13(19)11-5-2-6-15-11/h2,5-6,10,14-15H,3-4,7-9H2,1H3,(H,16,18,19)
InChIKeyIDNACFJYMVUEDV-UHFFFAOYSA-N
XLogP-0.05
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 119649627
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 103353103
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62021956
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (CID 115316691) is N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is CNCC1CCCN1CC(=O)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IDNACFJYMVUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-8-10-4-3-7-17(10)9-12(18)16-13(19)11-5-2-6-15-11/h2,5-6,10,14-15H,3-4,7-9H2,1H3,(H,16,18,19).
What are the key properties of N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115316691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).