N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

C20H27N3O — CID 119573875

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-14-11-18(19(24)22-20(3,13-21)17-9-10-17)15(2)23(14)12-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13,21H2,1-3H3,(H,22,24)
InChIKeyTYVOMZNFYVALNN-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.01
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119573875) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119573875
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-14-11-18(19(24)22-20(3,13-21)17-9-10-17)15(2)23(14)12-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13,21H2,1-3H3,(H,22,24)
InChIKeyTYVOMZNFYVALNN-UHFFFAOYSA-N
XLogP3.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119574320
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119607026
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 119574777
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
CID 51204188
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
CID 119574287
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
CID 115307666
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (CID 119573875) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)(CN)C2CC2)c(C)n1Cc1ccccc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is TYVOMZNFYVALNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14-11-18(19(24)22-20(3,13-21)17-9-10-17)15(2)23(14)12-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13,21H2,1-3H3,(H,22,24).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.01, 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-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119573875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).