2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide

C20H27N5O3 — CID 25002560

IUPAC2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
SMILESCC1CCN(CCOc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O3/c1-13-6-8-25(9-7-13)10-11-28-17-5-3-2-4-14(17)16-12-15(18(21)26)19(23-16)24-20(22)27/h2-5,12-13,23H,6-11H2,1H3,(H2,21,26)(H3,22,24,27)
InChIKeyZECJBOFHDAMIGE-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.38
Rot. Bonds7

About 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 25002560) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
PubChem CID25002560
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
SMILESCC1CCN(CCOc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O3/c1-13-6-8-25(9-7-13)10-11-28-17-5-3-2-4-14(17)16-12-15(18(21)26)19(23-16)24-20(22)27/h2-5,12-13,23H,6-11H2,1H3,(H2,21,26)(H3,22,24,27)
InChIKeyZECJBOFHDAMIGE-UHFFFAOYSA-N
XLogP2.38
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
CID 67314576
formamide;2-(methylamino)-5-[2-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 145464614
ethyl 4-[2-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]phenoxy]butanoate
CID 59285985
2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 69008761
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1-[2-(2-butan-2-ylphenoxy)ethyl]-4-methylpiperidine;oxalic acid
CID 2922789
2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 67214997
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea
CID 168533022
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide (CID 25002560) is 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide is CC1CCN(CCOc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)[nH]2)CC1.
What is the InChIKey of 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is ZECJBOFHDAMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13-6-8-25(9-7-13)10-11-28-17-5-3-2-4-14(17)16-12-15(18(21)26)19(23-16)24-20(22)27/h2-5,12-13,23H,6-11H2,1H3,(H2,21,26)(H3,22,24,27).
What are the key properties of 2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.38, 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-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25002560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).