4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide

C10H17N3O — CID 115157506

IUPAC4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide
SMILESCC(C)(N)CCC(=O)Nc1cc[nH]c1
InChIInChI=1S/C10H17N3O/c1-10(2,11)5-3-9(14)13-8-4-6-12-7-8/h4,6-7,12H,3,5,11H2,1-2H3,(H,13,14)
InChIKeyPVIFOMRBNHJAAU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide

4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide (PubChem CID 115157506) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide
PubChem CID115157506
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide
SMILESCC(C)(N)CCC(=O)Nc1cc[nH]c1
InChIInChI=1S/C10H17N3O/c1-10(2,11)5-3-9(14)13-8-4-6-12-7-8/h4,6-7,12H,3,5,11H2,1-2H3,(H,13,14)
InChIKeyPVIFOMRBNHJAAU-UHFFFAOYSA-N
XLogP1.47
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2-dimethyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156893
3-oxo-3-(1H-pyrrol-3-ylamino)propanoic acid
CID 115163232
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156226
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157553
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
CID 116813180
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
CID 103811545
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide?
The IUPAC name of 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide (CID 115157506) is 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide is CC(C)(N)CCC(=O)Nc1cc[nH]c1.
What is the InChIKey of 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide?
The InChIKey is PVIFOMRBNHJAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,11)5-3-9(14)13-8-4-6-12-7-8/h4,6-7,12H,3,5,11H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide?
4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide has a molecular weight of 195.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide is sourced from PubChem (CID 115157506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).