N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

C12H19N3O2 — CID 54380946

IUPACN-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=O)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C12H19N3O2/c1-8-10(7-16)14-9(2)11(8)12(17)13-5-6-15(3)4/h7,14H,5-6H2,1-4H3,(H,13,17)
InChIKeyUZVVIMFOBRKSOV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 54380946) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID54380946
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=O)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C12H19N3O2/c1-8-10(7-16)14-9(2)11(8)12(17)13-5-6-15(3)4/h7,14H,5-6H2,1-4H3,(H,13,17)
InChIKeyUZVVIMFOBRKSOV-UHFFFAOYSA-N
XLogP0.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 58100367
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887
sodium (Z)-2-(2-amino-5-fluorophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]prop-2-enoate
CID 169446654
N-[2-(dimethylamino)ethyl]-5-[[3-[2-(4-hydroxyphenyl)ethyl]-5-oxo-1H-pyrazol-4-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 150481161
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 135724335
N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide
CID 141062283
5-formyl-N-(1-iodo-2-methylpropan-2-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 88960824
N-[2-(dimethylamino)ethyl]-5-[[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 139993770
N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 69106224
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-[ethyl(methyl)amino]ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91295175

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 54380946) is N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(C=O)c(C)c1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is UZVVIMFOBRKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(7-16)14-9(2)11(8)12(17)13-5-6-15(3)4/h7,14H,5-6H2,1-4H3,(H,13,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 54380946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).