N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide

C22H24N4O2 — CID 3011401

IUPACN-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
SMILESCc1c(CN2CCOCC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1
InChIInChI=1S/C22H24N4O2/c1-17-20(16-25-11-13-28-14-12-25)15-21(18-5-3-2-4-6-18)26(17)24-22(27)19-7-9-23-10-8-19/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKeyHTZJHMFSPDTPFP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.07
Rot. Bonds5

About N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide

N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide (PubChem CID 3011401) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
PubChem CID3011401
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
SMILESCc1c(CN2CCOCC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1
InChIInChI=1S/C22H24N4O2/c1-17-20(16-25-11-13-28-14-12-25)15-21(18-5-3-2-4-6-18)26(17)24-22(27)19-7-9-23-10-8-19/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKeyHTZJHMFSPDTPFP-UHFFFAOYSA-N
XLogP3.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide (CID 3011401) is N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide is Cc1c(CN2CCOCC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide?
The InChIKey is HTZJHMFSPDTPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-20(16-25-11-13-28-14-12-25)15-21(18-5-3-2-4-6-18)26(17)24-22(27)19-7-9-23-10-8-19/h2-10,15H,11-14,16H2,1H3,(H,24,27).
What are the key properties of N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide?
N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 3011401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).