N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide

C19H28N4O2 — CID 100652724

IUPACN-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide
SMILESCC[C@@](C)(CNC(=O)c1c(C)ccn1C)NC(=O)c1c(C)ccn1C
InChIInChI=1S/C19H28N4O2/c1-7-19(4,21-18(25)16-14(3)9-11-23(16)6)12-20-17(24)15-13(2)8-10-22(15)5/h8-11H,7,12H2,1-6H3,(H,20,24)(H,21,25)/t19-/m0/s1
InChIKeyQRZFVCAADOWDLJ-IBGZPJMESA-N
MW344.46 g/mol
LogP2.31
Rot. Bonds6

About N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide

N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide (PubChem CID 100652724) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide
PubChem CID100652724
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide
SMILESCC[C@@](C)(CNC(=O)c1c(C)ccn1C)NC(=O)c1c(C)ccn1C
InChIInChI=1S/C19H28N4O2/c1-7-19(4,21-18(25)16-14(3)9-11-23(16)6)12-20-17(24)15-13(2)8-10-22(15)5/h8-11H,7,12H2,1-6H3,(H,20,24)(H,21,25)/t19-/m0/s1
InChIKeyQRZFVCAADOWDLJ-IBGZPJMESA-N
XLogP2.31
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide (CID 100652724) is N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide is CC[C@@](C)(CNC(=O)c1c(C)ccn1C)NC(=O)c1c(C)ccn1C.
What is the InChIKey of N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide?
The InChIKey is QRZFVCAADOWDLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4O2/c1-7-19(4,21-18(25)16-14(3)9-11-23(16)6)12-20-17(24)15-13(2)8-10-22(15)5/h8-11H,7,12H2,1-6H3,(H,20,24)(H,21,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide?
N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(1,3-dimethylpyrrole-2-carbonyl)amino]-2-methylbutyl]-1,3-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 100652724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).