N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine

C25H21FN4O2 — CID 144570129

IUPACN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
SMILESO=C(NC1CCOc2cccnc21)c1ccc(F)cc1.c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C15H13FN2O2.C10H8N2/c16-11-5-3-10(4-6-11)15(19)18-12-7-9-20-13-2-1-8-17-14(12)13;1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-6,8,12H,7,9H2,(H,18,19);1-8H
InChIKeyVZFSJYXYIZHUAN-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.62
Rot. Bonds3

About N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine (PubChem CID 144570129) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
PubChem CID144570129
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
SMILESO=C(NC1CCOc2cccnc21)c1ccc(F)cc1.c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C15H13FN2O2.C10H8N2/c16-11-5-3-10(4-6-11)15(19)18-12-7-9-20-13-2-1-8-17-14(12)13;1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-6,8,12H,7,9H2,(H,18,19);1-8H
InChIKeyVZFSJYXYIZHUAN-UHFFFAOYSA-N
XLogP4.62
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
2-(cyclopropylamino)-4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)benzoic acid;1-fluoro-2-(trifluoromethoxy)benzene
CID 144569902
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
CID 144570083
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 144570089
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
CID 144570162
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
1-fluoro-2-(trifluoromethoxy)benzene;methyl 2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-4-carboxylate
CID 144570124

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine?
The IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine (CID 144570129) is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine is O=C(NC1CCOc2cccnc21)c1ccc(F)cc1.c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine?
The InChIKey is VZFSJYXYIZHUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2.C10H8N2/c16-11-5-3-10(4-6-11)15(19)18-12-7-9-20-13-2-1-8-17-14(12)13;1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-6,8,12H,7,9H2,(H,18,19);1-8H.
What are the key properties of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine?
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine has a molecular weight of 428.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine is sourced from PubChem (CID 144570129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).