N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide

C13H23N3O — CID 122571938

IUPACN-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)(C)CN(C)C)[nH]1
InChIInChI=1S/C13H23N3O/c1-6-10-7-8-11(14-10)12(17)15-13(2,3)9-16(4)5/h7-8,14H,6,9H2,1-5H3,(H,15,17)
InChIKeyYGIRCUGDEBNGSZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.65
Rot. Bonds5

About N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide

N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 122571938) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide
PubChem CID122571938
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)(C)CN(C)C)[nH]1
InChIInChI=1S/C13H23N3O/c1-6-10-7-8-11(14-10)12(17)15-13(2,3)9-16(4)5/h7-8,14H,6,9H2,1-5H3,(H,15,17)
InChIKeyYGIRCUGDEBNGSZ-UHFFFAOYSA-N
XLogP1.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrole-2-carboxamide
CID 573553
(2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23634442
Ethanone, 1-(5-methyl-1H-pyrrol-2-yl)-
CID 13220327
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
(R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110298
N-[(1R)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110299
(S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110303
N-[(1S)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110304
(2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093410
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-[(5-methyl-1H-pyrrol-2-yl)formamido]butanamide
CID 25093411
N-(2-(dimethylamino)ethyl)-1H-indole-2-carboxamide
CID 10728235
1H-Pyrrole-2-carboxylic acid cyclohexylmethyl-amide
CID 11127444

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide (CID 122571938) is N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC(C)(C)CN(C)C)[nH]1.
What is the InChIKey of N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is YGIRCUGDEBNGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-10-7-8-11(14-10)12(17)15-13(2,3)9-16(4)5/h7-8,14H,6,9H2,1-5H3,(H,15,17).
What are the key properties of N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide?
N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2-methylpropan-2-yl]-5-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122571938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).