4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

C19H29N5O2 — CID 42611438

IUPAC4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1CCc1cc(C(=O)NCCN2CCOCC2)n(C)c1
InChIInChI=1S/C19H29N5O2/c1-22-14-16(20)12-17(22)4-3-15-11-18(23(2)13-15)19(25)21-5-6-24-7-9-26-10-8-24/h11-14H,3-10,20H2,1-2H3,(H,21,25)
InChIKeyQJHUYPVMEDPVAG-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.79
Rot. Bonds7

About 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 42611438) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID42611438
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1CCc1cc(C(=O)NCCN2CCOCC2)n(C)c1
InChIInChI=1S/C19H29N5O2/c1-22-14-16(20)12-17(22)4-3-15-11-18(23(2)13-15)19(25)21-5-6-24-7-9-26-10-8-24/h11-14H,3-10,20H2,1-2H3,(H,21,25)
InChIKeyQJHUYPVMEDPVAG-UHFFFAOYSA-N
XLogP0.79
TPSA77.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 42611438) is 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is Cn1cc(N)cc1CCc1cc(C(=O)NCCN2CCOCC2)n(C)c1.
What is the InChIKey of 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is QJHUYPVMEDPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22-14-16(20)12-17(22)4-3-15-11-18(23(2)13-15)19(25)21-5-6-24-7-9-26-10-8-24/h11-14H,3-10,20H2,1-2H3,(H,21,25).
What are the key properties of 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-1-methylpyrrol-2-yl)ethyl]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42611438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).