N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide

C15H25N3O — CID 115309753

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cccn1C1CC1
InChIInChI=1S/C15H25N3O/c1-11(2)9-15(3,10-16)17-14(19)13-5-4-8-18(13)12-6-7-12/h4-5,8,11-12H,6-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyWTMRKVQYUKFPKG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 115309753) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID115309753
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cccn1C1CC1
InChIInChI=1S/C15H25N3O/c1-11(2)9-15(3,10-16)17-14(19)13-5-4-8-18(13)12-6-7-12/h4-5,8,11-12H,6-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyWTMRKVQYUKFPKG-UHFFFAOYSA-N
XLogP2.32
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610593
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
CID 91090923
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 119597476
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide (CID 115309753) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cccn1C1CC1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is WTMRKVQYUKFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)9-15(3,10-16)17-14(19)13-5-4-8-18(13)12-6-7-12/h4-5,8,11-12H,6-7,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 115309753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).