N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide

C25H23N3O5 — CID 75489001

IUPACN-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1ncc(CN2CCOCC2)c2cc(C(=O)c3cccc(NC(=O)c4ccco4)c3)oc12
InChIInChI=1S/C25H23N3O5/c1-16-24-20(18(14-26-16)15-28-7-10-31-11-8-28)13-22(33-24)23(29)17-4-2-5-19(12-17)27-25(30)21-6-3-9-32-21/h2-6,9,12-14H,7-8,10-11,15H2,1H3,(H,27,30)
InChIKeySIUNFKLAEHHTHI-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.04
Rot. Bonds6

About N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide

N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 75489001) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide
PubChem CID75489001
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1ncc(CN2CCOCC2)c2cc(C(=O)c3cccc(NC(=O)c4ccco4)c3)oc12
InChIInChI=1S/C25H23N3O5/c1-16-24-20(18(14-26-16)15-28-7-10-31-11-8-28)13-22(33-24)23(29)17-4-2-5-19(12-17)27-25(30)21-6-3-9-32-21/h2-6,9,12-14H,7-8,10-11,15H2,1H3,(H,27,30)
InChIKeySIUNFKLAEHHTHI-UHFFFAOYSA-N
XLogP4.04
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide (CID 75489001) is N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide is Cc1ncc(CN2CCOCC2)c2cc(C(=O)c3cccc(NC(=O)c4ccco4)c3)oc12.
What is the InChIKey of N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is SIUNFKLAEHHTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-16-24-20(18(14-26-16)15-28-7-10-31-11-8-28)13-22(33-24)23(29)17-4-2-5-19(12-17)27-25(30)21-6-3-9-32-21/h2-6,9,12-14H,7-8,10-11,15H2,1H3,(H,27,30).
What are the key properties of N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide?
N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 75489001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).