2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide

C14H17N5O2 — CID 59285824

IUPAC2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCNCc1cccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1
InChIInChI=1S/C14H17N5O2/c1-17-7-8-3-2-4-9(5-8)11-6-10(12(15)20)13(18-11)19-14(16)21/h2-6,17-18H,7H2,1H3,(H2,15,20)(H3,16,19,21)
InChIKeyJFSRJNJQAOSNKX-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.99
Rot. Bonds5

About 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 59285824) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID59285824
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCNCc1cccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1
InChIInChI=1S/C14H17N5O2/c1-17-7-8-3-2-4-9(5-8)11-6-10(12(15)20)13(18-11)19-14(16)21/h2-6,17-18H,7H2,1H3,(H2,15,20)(H3,16,19,21)
InChIKeyJFSRJNJQAOSNKX-UHFFFAOYSA-N
XLogP0.99
TPSA126.03 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 25005711
2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285862
2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 59285878
2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
CID 59285840
2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
CID 44560752
2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285855
2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide
CID 145464595
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine
CID 141182276
2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide
CID 59189843
1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
CID 172688184

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 59285824) is 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide is CNCc1cccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1.
What is the InChIKey of 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JFSRJNJQAOSNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-17-7-8-3-2-4-9(5-8)11-6-10(12(15)20)13(18-11)19-14(16)21/h2-6,17-18H,7H2,1H3,(H2,15,20)(H3,16,19,21).
What are the key properties of 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).