4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide

C9H15N3O — CID 43641940

IUPAC4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C9H15N3O/c1-3-6(2)12-9(13)8-4-7(10)5-11-8/h4-6,11H,3,10H2,1-2H3,(H,12,13)
InChIKeyVMGPSKVLWBKCDL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds3

About 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide

4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide (PubChem CID 43641940) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
PubChem CID43641940
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C9H15N3O/c1-3-6(2)12-9(13)8-4-7(10)5-11-8/h4-6,11H,3,10H2,1-2H3,(H,12,13)
InChIKeyVMGPSKVLWBKCDL-UHFFFAOYSA-N
XLogP1.13
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 82945173
4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide
CID 106021614
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
4-benzoyl-N-[(2S)-butan-2-yl]-1H-pyrrole-2-carboxamide
CID 40574070
N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 1485174
4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 61117966
N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 3817065
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 113404969
1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one
CID 131275798
4-amino-N-butan-2-ylbenzamide
CID 3503917

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide (CID 43641940) is 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide is CCC(C)NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide?
The InChIKey is VMGPSKVLWBKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-6(2)12-9(13)8-4-7(10)5-11-8/h4-6,11H,3,10H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide?
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43641940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).