[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid

C25H23N5O4 — CID 135351177

IUPAC[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
SMILESCn1cc(NC(=O)O)cc1C(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3)n(C)c2)cc1
InChIInChI=1S/C25H23N5O4/c1-29-14-17(12-21(29)23(31)26-18-6-4-3-5-7-18)16-8-10-19(11-9-16)27-24(32)22-13-20(15-30(22)2)28-25(33)34/h3-15,28H,1-2H3,(H,26,31)(H,27,32)(H,33,34)
InChIKeyUCNKDOOBRSNDFY-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.63
Rot. Bonds6

About [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid

[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid (PubChem CID 135351177) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
PubChem CID135351177
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
SMILESCn1cc(NC(=O)O)cc1C(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3)n(C)c2)cc1
InChIInChI=1S/C25H23N5O4/c1-29-14-17(12-21(29)23(31)26-18-6-4-3-5-7-18)16-8-10-19(11-9-16)27-24(32)22-13-20(15-30(22)2)28-25(33)34/h3-15,28H,1-2H3,(H,26,31)(H,27,32)(H,33,34)
InChIKeyUCNKDOOBRSNDFY-UHFFFAOYSA-N
XLogP4.63
TPSA117.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamate
CID 139573166
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870
tert-butyl N-[1-methyl-5-[[4-[1-methyl-5-(2-phenylacetyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamate;1-methyl-4-[4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]phenyl]pyrrole-2-carboxylic acid
CID 158727360
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 156672947
prop-2-enyl N-[4-[[1-methyl-4-[4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]phenyl]pyrrole-2-carbonyl]amino]phenyl]carbamate
CID 162489070
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide
CID 146146605
methyl 4-[4-[[4-[[4-[4-(dimethylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 69156537
methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
CID 118070958
1-methyl-4-[[1-methyl-4-(pyridine-2-carbonylamino)pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 139332490
4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid?
The IUPAC name of [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid (CID 135351177) is [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid.
What is the SMILES notation for [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid?
The canonical SMILES for [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid is Cn1cc(NC(=O)O)cc1C(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3)n(C)c2)cc1.
What is the InChIKey of [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid?
The InChIKey is UCNKDOOBRSNDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-29-14-17(12-21(29)23(31)26-18-6-4-3-5-7-18)16-8-10-19(11-9-16)27-24(32)22-13-20(15-30(22)2)28-25(33)34/h3-15,28H,1-2H3,(H,26,31)(H,27,32)(H,33,34).
What are the key properties of [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid?
[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid has a molecular weight of 457.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid is sourced from PubChem (CID 135351177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).