CID 90248997

C20H17N5O3 — CID 90248997

IUPAC—
SMILESN#Cc1ccc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)nc1
InChIInChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26)
InChIKeyFCSDLAQZROWWFP-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.92
Rot. Bonds2

About CID 90248997

CID 90248997 (PubChem CID 90248997) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol.

Molecular Properties

Compound NameCID 90248997
PubChem CID90248997
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name—
SMILESN#Cc1ccc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)nc1
InChIInChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26)
InChIKeyFCSDLAQZROWWFP-UHFFFAOYSA-N
XLogP1.92
TPSA122.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R)-2'-amino-5',5'-difluorospiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-5-yl]-5-cyanopyridine-2-carboxamide
CID 71059402
CID 90235599
CID 90235599
N-[3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71112644
N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 53251674
CID 123368464
CID 123368464
N-(2-amino-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-cyanopyridine-2-carboxamide
CID 78104889
N-[3-[(4S,5S)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 66559097
N-[(4aR,11bR)-2-amino-4,4-dihydroxy-3,11b-dimethyl-5,6-dihydro-4aH-[1]benzoxepino[5,4-e][1,2,4]thiadiazin-10-yl]-5-cyanopyridine-2-carboxamide
CID 130365603
N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-cyanopyridine-2-carboxamide
CID 71542702
CID 90055997
CID 90055997
N-[3-[(8R)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118190070
CID 90056266
CID 90056266

Frequently Asked Questions

What is the IUPAC name of CID 90248997?
The IUPAC name of CID 90248997 (CID 90248997) is not available.
What is the SMILES notation for CID 90248997?
The canonical SMILES for CID 90248997 is N#Cc1ccc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)nc1.
What is the InChIKey of CID 90248997?
The InChIKey is FCSDLAQZROWWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26).
What are the key properties of CID 90248997?
CID 90248997 has a molecular weight of 375.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90248997 is sourced from PubChem (CID 90248997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).