N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide

C14H25N3O — CID 125442761

IUPACN-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@@H](C(C)C)N(C)C)[nH]1
InChIInChI=1S/C14H25N3O/c1-6-11-7-8-12(16-11)14(18)15-9-13(10(2)3)17(4)5/h7-8,10,13,16H,6,9H2,1-5H3,(H,15,18)/t13-/m0/s1
InChIKeyXLPMJYONGLDBAE-ZDUSSCGKSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide

N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 125442761) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide
PubChem CID125442761
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@@H](C(C)C)N(C)C)[nH]1
InChIInChI=1S/C14H25N3O/c1-6-11-7-8-12(16-11)14(18)15-9-13(10(2)3)17(4)5/h7-8,10,13,16H,6,9H2,1-5H3,(H,15,18)/t13-/m0/s1
InChIKeyXLPMJYONGLDBAE-ZDUSSCGKSA-N
XLogP1.89
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 126452908
5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 91791046
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
ethyl 5-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 24650103
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
4-bromo-N-[2-(dimethylamino)-3-methylbutyl]-1-ethylpyrrole-2-carboxamide
CID 61249801
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95862889
N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
CID 24650094
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492
N-[2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 122568960

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide (CID 125442761) is N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC[C@@H](C(C)C)N(C)C)[nH]1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is XLPMJYONGLDBAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-11-7-8-12(16-11)14(18)15-9-13(10(2)3)17(4)5/h7-8,10,13,16H,6,9H2,1-5H3,(H,15,18)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide?
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125442761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).