4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide

C14H17N3O2 — CID 61236398

IUPAC4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H17N3O2/c1-17-9-11(15)8-13(17)14(19)16-12-4-2-10(3-5-12)6-7-18/h2-5,8-9,18H,6-7,15H2,1H3,(H,16,19)
InChIKeyRQOVDCPTFPSMLK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds4

About 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 61236398) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID61236398
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H17N3O2/c1-17-9-11(15)8-13(17)14(19)16-12-4-2-10(3-5-12)6-7-18/h2-5,8-9,18H,6-7,15H2,1H3,(H,16,19)
InChIKeyRQOVDCPTFPSMLK-UHFFFAOYSA-N
XLogP1.39
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
prop-2-enyl N-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]carbamate;hydrochloride
CID 171802265
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107587408
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43642860
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64524679
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 61236398) is 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RQOVDCPTFPSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-9-11(15)8-13(17)14(19)16-12-4-2-10(3-5-12)6-7-18/h2-5,8-9,18H,6-7,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61236398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).