5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide

C21H24N4O2 — CID 10270151

IUPAC5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)17-12-16(18(25-17)19(26)22-4)24-20(27)23-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,25H,1-4H3,(H,22,26)(H2,23,24,27)
InChIKeyKGXCYNWCPQLEEV-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.47
Rot. Bonds3

About 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide

5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide (PubChem CID 10270151) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide
PubChem CID10270151
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)17-12-16(18(25-17)19(26)22-4)24-20(27)23-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,25H,1-4H3,(H,22,26)(H2,23,24,27)
InChIKeyKGXCYNWCPQLEEV-UHFFFAOYSA-N
XLogP4.47
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylcarbamoyl-5-tert-butyl-3-pyrrolyl)-N'-(4-methylphenyl)urea
CID 10268342
1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 12267225
9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 665149
6-Phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9995603
3-Methyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10421804
1,3-Dimethyl-6-naphthalen-2-yl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10447808
3-[2-[4-(4-Propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 10928161
3-[2-[4-(4-Butan-2-ylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 10939209
3-[2-[4-(4-Butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 10950355
6-(4-aminophenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 11313397
3-[2-[4-(4-Tert-butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 11762075
2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione
CID 15054187

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide (CID 10270151) is 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide?
The InChIKey is KGXCYNWCPQLEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)17-12-16(18(25-17)19(26)22-4)24-20(27)23-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,25H,1-4H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide?
5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10270151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).