4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide

C13H21N3O2 — CID 102858837

IUPAC4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H21N3O2/c1-15-9-10(14)8-12(15)13(18)16(6-3-7-17)11-4-2-5-11/h8-9,11,17H,2-7,14H2,1H3
InChIKeyBVJNLVOGCJMQFM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.98
Rot. Bonds5

About 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide

4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 102858837) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
PubChem CID102858837
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H21N3O2/c1-15-9-10(14)8-12(15)13(18)16(6-3-7-17)11-4-2-5-11/h8-9,11,17H,2-7,14H2,1H3
InChIKeyBVJNLVOGCJMQFM-UHFFFAOYSA-N
XLogP0.98
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 102866362
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 61110308
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 43643844
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide (CID 102858837) is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is BVJNLVOGCJMQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-9-10(14)8-12(15)13(18)16(6-3-7-17)11-4-2-5-11/h8-9,11,17H,2-7,14H2,1H3.
What are the key properties of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 102858837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).