N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

C16H16F3N3O4 — CID 71693957

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cncnc2)c(C(F)(F)F)o1
InChIInChI=1S/C16H16F3N3O4/c1-7-2-10(14(26-7)16(17,18)19)15(25)22-12-9(3-11(23)13(12)24)8-4-20-6-21-5-8/h2,4-6,9,11-13,23-24H,3H2,1H3,(H,22,25)/t9-,11-,12-,13-/m1/s1
InChIKeyQBFALPDZNKWGCL-OJAKKHQRSA-N
MW371.32 g/mol
LogP1.40
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 71693957) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID71693957
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cncnc2)c(C(F)(F)F)o1
InChIInChI=1S/C16H16F3N3O4/c1-7-2-10(14(26-7)16(17,18)19)15(25)22-12-9(3-11(23)13(12)24)8-4-20-6-21-5-8/h2,4-6,9,11-13,23-24H,3H2,1H3,(H,22,25)/t9-,11-,12-,13-/m1/s1
InChIKeyQBFALPDZNKWGCL-OJAKKHQRSA-N
XLogP1.40
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (CID 71693957) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cncnc2)c(C(F)(F)F)o1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is QBFALPDZNKWGCL-OJAKKHQRSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-7-2-10(14(26-7)16(17,18)19)15(25)22-12-9(3-11(23)13(12)24)8-4-20-6-21-5-8/h2,4-6,9,11-13,23-24H,3H2,1H3,(H,22,25)/t9-,11-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 71693957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).