5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

C19H22ClN3O3 — CID 74960672

IUPAC5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(Cl)cn2)o1)C1CCCCC1
InChIInChI=1S/C19H22ClN3O3/c1-21-19(25)17(12-5-3-2-4-6-12)23-18(24)16-10-9-15(26-16)14-8-7-13(20)11-22-14/h7-12,17H,2-6H2,1H3,(H,21,25)(H,23,24)
InChIKeySQFIUEWOPGEFKI-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.42
Rot. Bonds5

About 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 74960672) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID74960672
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(Cl)cn2)o1)C1CCCCC1
InChIInChI=1S/C19H22ClN3O3/c1-21-19(25)17(12-5-3-2-4-6-12)23-18(24)16-10-9-15(26-16)14-8-7-13(20)11-22-14/h7-12,17H,2-6H2,1H3,(H,21,25)(H,23,24)
InChIKeySQFIUEWOPGEFKI-UHFFFAOYSA-N
XLogP3.42
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (CID 74960672) is 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(Cl)cn2)o1)C1CCCCC1.
What is the InChIKey of 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SQFIUEWOPGEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-21-19(25)17(12-5-3-2-4-6-12)23-18(24)16-10-9-15(26-16)14-8-7-13(20)11-22-14/h7-12,17H,2-6H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-pyridinyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 74960672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).