N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C22H23ClN4O2 — CID 14330390

IUPACN-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O2/c23-22-24-12-8-20(25-22)27(21(28)19-7-4-16-29-19)18-10-14-26(15-11-18)13-9-17-5-2-1-3-6-17/h1-8,12,16,18H,9-11,13-15H2
InChIKeyMOLDJIBKRUSSPC-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.08
Rot. Bonds6

About N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 14330390) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID14330390
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O2/c23-22-24-12-8-20(25-22)27(21(28)19-7-4-16-29-19)18-10-14-26(15-11-18)13-9-17-5-2-1-3-6-17/h1-8,12,16,18H,9-11,13-15H2
InChIKeyMOLDJIBKRUSSPC-UHFFFAOYSA-N
XLogP4.08
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mirfentanil
CID 60698
Mirfentanil Hydrochloride
CID 60697
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
(E)-furan-2-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
CID 3704657
N-[2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 722974
MS 28
CID 195216
N-[4-[(4-methylpyridin-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 1262407
N-[1-(2-phenylethyl)piperidin-4-yl]-N-(pyridin-3-yl)furan-2-carboxamide
CID 9885961
N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)furan-2-carboxamide
CID 10066845
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-2-yl-amide
CID 10339454
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 10429616
3,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
CID 16067639

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 14330390) is N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is MOLDJIBKRUSSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-22-24-12-8-20(25-22)27(21(28)19-7-4-16-29-19)18-10-14-26(15-11-18)13-9-17-5-2-1-3-6-17/h1-8,12,16,18H,9-11,13-15H2.
What are the key properties of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 14330390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).