2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide

C12H19N3O — CID 106384695

IUPAC2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(CNC1CCCC1)NCc1cc[nH]c1
InChIInChI=1S/C12H19N3O/c16-12(9-14-11-3-1-2-4-11)15-8-10-5-6-13-7-10/h5-7,11,13-14H,1-4,8-9H2,(H,15,16)
InChIKeyQTKVWIDXBKKEDN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.16
Rot. Bonds5

About 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide

2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106384695) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106384695
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(CNC1CCCC1)NCc1cc[nH]c1
InChIInChI=1S/C12H19N3O/c16-12(9-14-11-3-1-2-4-11)15-8-10-5-6-13-7-10/h5-7,11,13-14H,1-4,8-9H2,(H,15,16)
InChIKeyQTKVWIDXBKKEDN-UHFFFAOYSA-N
XLogP1.16
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
2-cyclobutyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385129
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
2-(cyclopentylamino)-N-(furan-3-ylmethyl)acetamide
CID 115746985
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385742
N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide
CID 115968377
2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384935

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106384695) is 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide is O=C(CNC1CCCC1)NCc1cc[nH]c1.
What is the InChIKey of 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is QTKVWIDXBKKEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(9-14-11-3-1-2-4-11)15-8-10-5-6-13-7-10/h5-7,11,13-14H,1-4,8-9H2,(H,15,16).
What are the key properties of 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106384695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).