5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide

C15H16FN5O5 — CID 139364463

IUPAC5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccn(C3OC(CO)C(O)[C@@H]3F)c(=O)n2)nc1
InChIInChI=1S/C15H16FN5O5/c16-11-12(23)9(6-22)26-14(11)21-4-3-10(20-15(21)25)19-13(24)8-2-1-7(17)5-18-8/h1-5,9,11-12,14,22-23H,6,17H2,(H,19,20,24,25)/t9?,11-,12?,14?/m0/s1
InChIKeyHHSQKPIMUDRBJZ-VETZCLCCSA-N
MW365.32 g/mol
LogP-0.94
Rot. Bonds4

About 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide

5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide (PubChem CID 139364463) has the molecular formula C15H16FN5O5 and a molecular weight of 365.32 g/mol. Its IUPAC name is 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide
PubChem CID139364463
Molecular FormulaC15H16FN5O5
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccn(C3OC(CO)C(O)[C@@H]3F)c(=O)n2)nc1
InChIInChI=1S/C15H16FN5O5/c16-11-12(23)9(6-22)26-14(11)21-4-3-10(20-15(21)25)19-13(24)8-2-1-7(17)5-18-8/h1-5,9,11-12,14,22-23H,6,17H2,(H,19,20,24,25)/t9?,11-,12?,14?/m0/s1
InChIKeyHHSQKPIMUDRBJZ-VETZCLCCSA-N
XLogP-0.94
TPSA152.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5-nitropyridine-2-carboxamide
CID 153405843
N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 150568808
1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 122450152
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
prop-2-enyl N-[1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 91452016
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
1-[(2R,4S,5S,6R)-3,4-difluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-4-(propan-2-ylamino)pyrimidin-2-one
CID 174025289
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,3,3-trifluoropropanamide
CID 170902536
N-[1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 7291906
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-hydroxybenzamide
CID 53389701

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide (CID 139364463) is 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2ccn(C3OC(CO)C(O)[C@@H]3F)c(=O)n2)nc1.
What is the InChIKey of 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide?
The InChIKey is HHSQKPIMUDRBJZ-VETZCLCCSA-N. The full InChI is InChI=1S/C15H16FN5O5/c16-11-12(23)9(6-22)26-14(11)21-4-3-10(20-15(21)25)19-13(24)8-2-1-7(17)5-18-8/h1-5,9,11-12,14,22-23H,6,17H2,(H,19,20,24,25)/t9?,11-,12?,14?/m0/s1.
What are the key properties of 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide?
5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide has a molecular weight of 365.32 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139364463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).