4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

C16H19N3O2 — CID 61115901

IUPAC4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C16H19N3O2/c1-18(9-11-3-2-4-14(20)7-11)16(21)15-8-12(17)10-19(15)13-5-6-13/h2-4,7-8,10,13,20H,5-6,9,17H2,1H3
InChIKeyPPOWYDIRQOKANW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 61115901) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID61115901
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C16H19N3O2/c1-18(9-11-3-2-4-14(20)7-11)16(21)15-8-12(17)10-19(15)13-5-6-13/h2-4,7-8,10,13,20H,5-6,9,17H2,1H3
InChIKeyPPOWYDIRQOKANW-UHFFFAOYSA-N
XLogP2.38
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
CID 64512324
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
CID 113475372
4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 103100900
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
(2,6-difluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114933000
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60960256
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (CID 61115901) is 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is PPOWYDIRQOKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(9-11-3-2-4-14(20)7-11)16(21)15-8-12(17)10-19(15)13-5-6-13/h2-4,7-8,10,13,20H,5-6,9,17H2,1H3.
What are the key properties of 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61115901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).