N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide

C19H19FN4O3 — CID 118326433

IUPACN-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
InChIInChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
InChIKeyWBSYSMRWVPPLPI-STQMWFEESA-N
MW370.38 g/mol
LogP3.13
Rot. Bonds5

About N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide

N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide (PubChem CID 118326433) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide
PubChem CID118326433
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
InChIInChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
InChIKeyWBSYSMRWVPPLPI-STQMWFEESA-N
XLogP3.13
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide (CID 118326433) is N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide is COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1.
What is the InChIKey of N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide?
The InChIKey is WBSYSMRWVPPLPI-STQMWFEESA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide?
N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 118326433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).