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

C19H25N5O3 — CID 69008761

IUPAC2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCC(Oc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1)N1CCCC1
InChIInChI=1S/C19H25N5O3/c1-2-16(24-9-5-6-10-24)27-15-8-4-3-7-12(15)14-11-13(17(20)25)18(22-14)23-19(21)26/h3-4,7-8,11,16,22H,2,5-6,9-10H2,1H3,(H2,20,25)(H3,21,23,26)
InChIKeyRILISWAUPLREEE-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.48
Rot. Bonds7

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

2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 69008761) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID69008761
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCC(Oc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1)N1CCCC1
InChIInChI=1S/C19H25N5O3/c1-2-16(24-9-5-6-10-24)27-15-8-4-3-7-12(15)14-11-13(17(20)25)18(22-14)23-19(21)26/h3-4,7-8,11,16,22H,2,5-6,9-10H2,1H3,(H2,20,25)(H3,21,23,26)
InChIKeyRILISWAUPLREEE-UHFFFAOYSA-N
XLogP2.48
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide (CID 69008761) is 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide is CCC(Oc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1)N1CCCC1.
What is the InChIKey of 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is RILISWAUPLREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-16(24-9-5-6-10-24)27-15-8-4-3-7-12(15)14-11-13(17(20)25)18(22-14)23-19(21)26/h3-4,7-8,11,16,22H,2,5-6,9-10H2,1H3,(H2,20,25)(H3,21,23,26).
What are the key properties of 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 69008761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).