N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide

C15H19N3O — CID 97250489

IUPACN-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESC[C@@H](CNc1ccccc1)NC(=O)c1cccn1C
InChIInChI=1S/C15H19N3O/c1-12(11-16-13-7-4-3-5-8-13)17-15(19)14-9-6-10-18(14)2/h3-10,12,16H,11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyIUKHEDVLNHHCTB-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.26
Rot. Bonds5

About N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide

N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 97250489) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID97250489
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESC[C@@H](CNc1ccccc1)NC(=O)c1cccn1C
InChIInChI=1S/C15H19N3O/c1-12(11-16-13-7-4-3-5-8-13)17-15(19)14-9-6-10-18(14)2/h3-10,12,16H,11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyIUKHEDVLNHHCTB-LBPRGKRZSA-N
XLogP2.26
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
N-heptan-2-yl-1-methylpyrrole-2-carboxamide
CID 102603550
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43208802
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid
CID 122018548
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylpyrrole-2-carboxamide
CID 103940864
3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883509
N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119588537
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393614

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide (CID 97250489) is N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide is C[C@@H](CNc1ccccc1)NC(=O)c1cccn1C.
What is the InChIKey of N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IUKHEDVLNHHCTB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(11-16-13-7-4-3-5-8-13)17-15(19)14-9-6-10-18(14)2/h3-10,12,16H,11H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide?
N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97250489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).