4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide

C15H25N3O — CID 114542693

IUPAC4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H25N3O/c1-4-7-18-10-11(16)8-13(18)14(19)17-12-5-6-15(2,3)9-12/h8,10,12H,4-7,9,16H2,1-3H3,(H,17,19)
InChIKeyRYCPEDVHJREOJA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.79
Rot. Bonds4

About 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide (PubChem CID 114542693) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide
PubChem CID114542693
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H25N3O/c1-4-7-18-10-11(16)8-13(18)14(19)17-12-5-6-15(2,3)9-12/h8,10,12H,4-7,9,16H2,1-3H3,(H,17,19)
InChIKeyRYCPEDVHJREOJA-UHFFFAOYSA-N
XLogP2.79
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 115881850
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 64733612

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide (CID 114542693) is 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is RYCPEDVHJREOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-18-10-11(16)8-13(18)14(19)17-12-5-6-15(2,3)9-12/h8,10,12H,4-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 114542693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).