N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide

C9H14N4O2 — CID 79100398

IUPACN-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)Nn1cccc1
InChIInChI=1S/C9H14N4O2/c1-7(8(14)11-9(15)10-2)12-13-5-3-4-6-13/h3-7,12H,1-2H3,(H2,10,11,14,15)
InChIKeySUZZGVYKGGQJDJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.12
Rot. Bonds3

About N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide

N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide (PubChem CID 79100398) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide
PubChem CID79100398
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)Nn1cccc1
InChIInChI=1S/C9H14N4O2/c1-7(8(14)11-9(15)10-2)12-13-5-3-4-6-13/h3-7,12H,1-2H3,(H2,10,11,14,15)
InChIKeySUZZGVYKGGQJDJ-UHFFFAOYSA-N
XLogP-0.12
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide (CID 79100398) is N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide is CNC(=O)NC(=O)C(C)Nn1cccc1.
What is the InChIKey of N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide?
The InChIKey is SUZZGVYKGGQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7(8(14)11-9(15)10-2)12-13-5-3-4-6-13/h3-7,12H,1-2H3,(H2,10,11,14,15).
What are the key properties of N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide?
N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(pyrrol-1-ylamino)propanamide is sourced from PubChem (CID 79100398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).