N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide

C10H17N3O — CID 157298636

IUPACN-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide
SMILESCC(C)C(CN)NC(=O)C1=CN=CC1
InChIInChI=1S/C10H17N3O/c1-7(2)9(5-11)13-10(14)8-3-4-12-6-8/h4,6-7,9H,3,5,11H2,1-2H3,(H,13,14)
InChIKeyJHVORUDHXMRRNN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.44
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide

N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide (PubChem CID 157298636) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide
PubChem CID157298636
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide
SMILESCC(C)C(CN)NC(=O)C1=CN=CC1
InChIInChI=1S/C10H17N3O/c1-7(2)9(5-11)13-10(14)8-3-4-12-6-8/h4,6-7,9H,3,5,11H2,1-2H3,(H,13,14)
InChIKeyJHVORUDHXMRRNN-UHFFFAOYSA-N
XLogP0.44
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide (CID 157298636) is N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide is CC(C)C(CN)NC(=O)C1=CN=CC1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide?
The InChIKey is JHVORUDHXMRRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9(5-11)13-10(14)8-3-4-12-6-8/h4,6-7,9H,3,5,11H2,1-2H3,(H,13,14).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 157298636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).