N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide

C13H21N3O2 — CID 163755830

IUPACN-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide
SMILESCCN(C)C(=O)c1cc(NC(=O)C(C)C)cn1C
InChIInChI=1S/C13H21N3O2/c1-6-15(4)13(18)11-7-10(8-16(11)5)14-12(17)9(2)3/h7-9H,6H2,1-5H3,(H,14,17)
InChIKeyLTXYVHZRZVRFGY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.71
Rot. Bonds4

About N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide

N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide (PubChem CID 163755830) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide
PubChem CID163755830
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide
SMILESCCN(C)C(=O)c1cc(NC(=O)C(C)C)cn1C
InChIInChI=1S/C13H21N3O2/c1-6-15(4)13(18)11-7-10(8-16(11)5)14-12(17)9(2)3/h7-9H,6H2,1-5H3,(H,14,17)
InChIKeyLTXYVHZRZVRFGY-UHFFFAOYSA-N
XLogP1.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
ethyl 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 119342742
4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 134450659
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
4-acetamido-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 3009871
N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
CID 23394637
CID 20820655
CID 20820655
methyl 4-[[4-[[4-[[(2S)-3-[[4-[[4-[[4-[4-(dimethylamino)butanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-fluoropropanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 101161820
ethyl 4-[[(2R)-2-[(4-tert-butylbenzoyl)amino]propanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 95783175
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide (CID 163755830) is N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide is CCN(C)C(=O)c1cc(NC(=O)C(C)C)cn1C.
What is the InChIKey of N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide?
The InChIKey is LTXYVHZRZVRFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-15(4)13(18)11-7-10(8-16(11)5)14-12(17)9(2)3/h7-9H,6H2,1-5H3,(H,14,17).
What are the key properties of N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide?
N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1-dimethyl-4-(2-methylpropanoylamino)pyrrole-2-carboxamide is sourced from PubChem (CID 163755830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).