N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

C14H14N4O2S — CID 100734562

IUPACN-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(Nc1ncccn1)c1ccnc(O[C@H]2CCSC2)c1
InChIInChI=1S/C14H14N4O2S/c19-13(18-14-16-4-1-5-17-14)10-2-6-15-12(8-10)20-11-3-7-21-9-11/h1-2,4-6,8,11H,3,7,9H2,(H,16,17,18,19)/t11-/m0/s1
InChIKeyPXIQWZDWRPZAKN-NSHDSACASA-N
MW302.36 g/mol
LogP2.01
Rot. Bonds4

About N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100734562) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100734562
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(Nc1ncccn1)c1ccnc(O[C@H]2CCSC2)c1
InChIInChI=1S/C14H14N4O2S/c19-13(18-14-16-4-1-5-17-14)10-2-6-15-12(8-10)20-11-3-7-21-9-11/h1-2,4-6,8,11H,3,7,9H2,(H,16,17,18,19)/t11-/m0/s1
InChIKeyPXIQWZDWRPZAKN-NSHDSACASA-N
XLogP2.01
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100734562) is N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is O=C(Nc1ncccn1)c1ccnc(O[C@H]2CCSC2)c1.
What is the InChIKey of N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is PXIQWZDWRPZAKN-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-13(18-14-16-4-1-5-17-14)10-2-6-15-12(8-10)20-11-3-7-21-9-11/h1-2,4-6,8,11H,3,7,9H2,(H,16,17,18,19)/t11-/m0/s1.
What are the key properties of N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).