N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

C23H22N6O3 — CID 52913990

IUPACN-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1
InChIInChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
InChIKeyVLOHLIHCEHKFOL-CQSZACIVSA-N
MW430.47 g/mol
LogP3.31
Rot. Bonds6

About N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 52913990) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID52913990
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1
InChIInChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
InChIKeyVLOHLIHCEHKFOL-CQSZACIVSA-N
XLogP3.31
TPSA126.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 52913990) is N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is C[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1.
What is the InChIKey of N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is VLOHLIHCEHKFOL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 52913990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).