4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide

C14H20N4O — CID 61125746

IUPAC4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H20N4O/c1-2-7-17-10-11(16)9-13(17)14(19)18(8-3-6-15)12-4-5-12/h9-10,12H,2-5,7-8,16H2,1H3
InChIKeyFCCAAQYIMLFBMD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds6

About 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide

4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide (PubChem CID 61125746) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
PubChem CID61125746
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H20N4O/c1-2-7-17-10-11(16)9-13(17)14(19)18(8-3-6-15)12-4-5-12/h9-10,12H,2-5,7-8,16H2,1H3
InChIKeyFCCAAQYIMLFBMD-UHFFFAOYSA-N
XLogP2.00
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433687
4-amino-N-(cyclopropylmethyl)-N,1-dipropylpyrrole-2-carboxamide
CID 43644066
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120332
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43641514
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-bromo-N-(2-cyanoethyl)-N-cyclopropyl-1-propan-2-ylpyrrole-2-carboxamide
CID 54916487
2,4-diamino-N-(2-cyanoethyl)-N-cyclopropylbenzamide
CID 61126513
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide (CID 61125746) is 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide?
The InChIKey is FCCAAQYIMLFBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-7-17-10-11(16)9-13(17)14(19)18(8-3-6-15)12-4-5-12/h9-10,12H,2-5,7-8,16H2,1H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide?
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61125746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).