4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide

C14H23N3O — CID 43643445

IUPAC4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(N)cn1CCC)C1CC1
InChIInChI=1S/C14H23N3O/c1-3-7-16-10-11(15)9-13(16)14(18)17(8-4-2)12-5-6-12/h9-10,12H,3-8,15H2,1-2H3
InChIKeyNXOIJMIIWMXCNI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.49
Rot. Bonds6

About 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide

4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide (PubChem CID 43643445) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
PubChem CID43643445
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(N)cn1CCC)C1CC1
InChIInChI=1S/C14H23N3O/c1-3-7-16-10-11(15)9-13(16)14(18)17(8-4-2)12-5-6-12/h9-10,12H,3-8,15H2,1-2H3
InChIKeyNXOIJMIIWMXCNI-UHFFFAOYSA-N
XLogP2.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
CID 61125746
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43641514
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-(cyclopropylmethyl)-N,1-dipropylpyrrole-2-carboxamide
CID 43644066
4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433687
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
4-amino-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 61106564
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 107197417
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide (CID 43643445) is 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide is CCCN(C(=O)c1cc(N)cn1CCC)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
The InChIKey is NXOIJMIIWMXCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-7-16-10-11(15)9-13(16)14(18)17(8-4-2)12-5-6-12/h9-10,12H,3-8,15H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide is sourced from PubChem (CID 43643445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).