N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide

C19H28N4O3 — CID 74241118

IUPACN-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide
SMILESCc1nn(C)c(C)c1C(C)N(C)C(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C19H28N4O3/c1-13-18(15(3)22(5)20-13)14(2)21(4)19(24)16-10-17(26-12-16)11-23-6-8-25-9-7-23/h10,12,14H,6-9,11H2,1-5H3
InChIKeyJPYPQWPOIQOONE-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide

N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide (PubChem CID 74241118) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide
PubChem CID74241118
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide
SMILESCc1nn(C)c(C)c1C(C)N(C)C(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C19H28N4O3/c1-13-18(15(3)22(5)20-13)14(2)21(4)19(24)16-10-17(26-12-16)11-23-6-8-25-9-7-23/h10,12,14H,6-9,11H2,1-5H3
InChIKeyJPYPQWPOIQOONE-UHFFFAOYSA-N
XLogP2.30
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide (CID 74241118) is N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide is Cc1nn(C)c(C)c1C(C)N(C)C(=O)c1coc(CN2CCOCC2)c1.
What is the InChIKey of N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide?
The InChIKey is JPYPQWPOIQOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-18(15(3)22(5)20-13)14(2)21(4)19(24)16-10-17(26-12-16)11-23-6-8-25-9-7-23/h10,12,14H,6-9,11H2,1-5H3.
What are the key properties of N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide?
N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 74241118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).