N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide

C13H18N4O2 — CID 79388750

IUPACN-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H18N4O2/c1-8-11(6-7-15-8)12(18)16-9-2-4-10(5-3-9)17-13(14)19/h2-5,8,11,15H,6-7H2,1H3,(H,16,18)(H3,14,17,19)
InChIKeyDNLSURPGDLGEFK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.11
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide

N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388750) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388750
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H18N4O2/c1-8-11(6-7-15-8)12(18)16-9-2-4-10(5-3-9)17-13(14)19/h2-5,8,11,15H,6-7H2,1H3,(H,16,18)(H3,14,17,19)
InChIKeyDNLSURPGDLGEFK-UHFFFAOYSA-N
XLogP1.11
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339958
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide (CID 79388750) is N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is DNLSURPGDLGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-11(6-7-15-8)12(18)16-9-2-4-10(5-3-9)17-13(14)19/h2-5,8,11,15H,6-7H2,1H3,(H,16,18)(H3,14,17,19).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide?
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).