N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide

C28H29N3O — CID 90280297

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H29N3O/c1-20-15-27(28(32)30-18-23-13-11-22(17-29)12-14-23)21(2)31(20)19-24-7-6-10-26(16-24)25-8-4-3-5-9-25/h3-16H,17-19,29H2,1-2H3,(H,30,32)
InChIKeyUPJXJSJQGXMKHH-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.21
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 90280297) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide
PubChem CID90280297
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H29N3O/c1-20-15-27(28(32)30-18-23-13-11-22(17-29)12-14-23)21(2)31(20)19-24-7-6-10-26(16-24)25-8-4-3-5-9-25/h3-16H,17-19,29H2,1-2H3,(H,30,32)
InChIKeyUPJXJSJQGXMKHH-UHFFFAOYSA-N
XLogP5.21
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Olinone
CID 91668531
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CID 9797108
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
CID 56597953
2-methyl-N-(4-methylphenyl)-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrole-3-carboxamide
CID 2742391
2-methyl-1-(3-morpholinopropyl)-N,5-diphenyl-1H-pyrrole-3-carboxamide
CID 2742727
1-Pentyl-N-(phenylmethyl)-1H-indole-3-carboxamide
CID 2227769
2-Benzyl-1-Phenyl-3-(Piperazin-1-Ylcarbonyl)-1h-Indole
CID 46912134
2-[4-(Methylaminomethyl)phenyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 9882962
2,5-dimethyl-N-(2-phenylethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11710766
N-(3,3-diphenylpropyl)-6-(2-(pyrrolidin-1-yl)ethyl)nicotinamide
CID 11976367
Biphenyl-4-yl-(3-dimethylaminomethyl-5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-methanone
CID 22861321
1-benzyl-N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide (CID 90280297) is N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is UPJXJSJQGXMKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-20-15-27(28(32)30-18-23-13-11-22(17-29)12-14-23)21(2)31(20)19-24-7-6-10-26(16-24)25-8-4-3-5-9-25/h3-16H,17-19,29H2,1-2H3,(H,30,32).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(3-phenylphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 90280297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).