4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide

C13H21N3O — CID 63878701

IUPAC4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)CC1CC1C
InChIInChI=1S/C13H21N3O/c1-4-16-8-11(14)6-12(16)13(17)15(3)7-10-5-9(10)2/h6,8-10H,4-5,7,14H2,1-3H3
InChIKeyCXPBZTQHKIZKMS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds4

About 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide (PubChem CID 63878701) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
PubChem CID63878701
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)CC1CC1C
InChIInChI=1S/C13H21N3O/c1-4-16-8-11(14)6-12(16)13(17)15(3)7-10-5-9(10)2/h6,8-10H,4-5,7,14H2,1-3H3
InChIKeyCXPBZTQHKIZKMS-UHFFFAOYSA-N
XLogP1.82
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 63725531
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
CID 43641988
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide (CID 63878701) is 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)CC1CC1C.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
The InChIKey is CXPBZTQHKIZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-8-11(14)6-12(16)13(17)15(3)7-10-5-9(10)2/h6,8-10H,4-5,7,14H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 63878701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).