N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide

C22H23ClN4O2 — CID 14330392

IUPACN-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
SMILESO=C(c1ccoc1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O2/c23-22-24-11-6-20(25-22)27(21(28)18-10-15-29-16-18)19-8-13-26(14-9-19)12-7-17-4-2-1-3-5-17/h1-6,10-11,15-16,19H,7-9,12-14H2
InChIKeyDJKWPTBUCPRWCN-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.08
Rot. Bonds6

About N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide

N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 14330392) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID14330392
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
SMILESO=C(c1ccoc1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O2/c23-22-24-11-6-20(25-22)27(21(28)18-10-15-29-16-18)19-8-13-26(14-9-19)12-7-17-4-2-1-3-5-17/h1-6,10-11,15-16,19H,7-9,12-14H2
InChIKeyDJKWPTBUCPRWCN-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide (CID 14330392) is N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide is O=C(c1ccoc1)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-3-carboxamide?
The InChIKey is DJKWPTBUCPRWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-22-24-11-6-20(25-22)27(21(28)18-10-15-29-16-18)19-8-13-26(14-9-19)12-7-17-4-2-1-3-5-17/h1-6,10-11,15-16,19H,7-9,12-14H2.
What are the key properties of N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
N-(2-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-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-3-carboxamide is sourced from PubChem (CID 14330392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).