N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide

C18H15ClN2O3 — CID 99938366

IUPACN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1ccc(CO)o1
InChIInChI=1S/C18H15ClN2O3/c19-14-3-1-12(2-4-14)17(13-7-9-20-10-8-13)21-18(23)16-6-5-15(11-22)24-16/h1-10,17,22H,11H2,(H,21,23)/t17-/m1/s1
InChIKeyKQSBBLCEFYGQFH-QGZVFWFLSA-N
MW342.78 g/mol
LogP3.34
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide

N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide (PubChem CID 99938366) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
PubChem CID99938366
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1ccc(CO)o1
InChIInChI=1S/C18H15ClN2O3/c19-14-3-1-12(2-4-14)17(13-7-9-20-10-8-13)21-18(23)16-6-5-15(11-22)24-16/h1-10,17,22H,11H2,(H,21,23)/t17-/m1/s1
InChIKeyKQSBBLCEFYGQFH-QGZVFWFLSA-N
XLogP3.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 110245206
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide
CID 55773602
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 20897090
1-[(4-chlorophenyl)methyl]-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]triazole-4-carboxamide
CID 26393289
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95549573
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 78849670
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide (CID 99938366) is N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide is O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1ccc(CO)o1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide?
The InChIKey is KQSBBLCEFYGQFH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-3-1-12(2-4-14)17(13-7-9-20-10-8-13)21-18(23)16-6-5-15(11-22)24-16/h1-10,17,22H,11H2,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide?
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide is sourced from PubChem (CID 99938366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).