2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C21H20FN5O2 — CID 146586037

IUPAC2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3ncnc4ccc(F)cc34)C2)C1
InChIInChI=1S/C21H20FN5O2/c22-12-3-4-17-16(6-12)19(26-11-25-17)27-13-7-21(8-13)9-14(10-21)29-20-15(18(23)28)2-1-5-24-20/h1-6,11,13-14H,7-10H2,(H2,23,28)(H,25,26,27)
InChIKeyJLVSAEGUJAPXIE-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.06
Rot. Bonds5

About 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146586037) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146586037
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3ncnc4ccc(F)cc34)C2)C1
InChIInChI=1S/C21H20FN5O2/c22-12-3-4-17-16(6-12)19(26-11-25-17)27-13-7-21(8-13)9-14(10-21)29-20-15(18(23)28)2-1-5-24-20/h1-6,11,13-14H,7-10H2,(H2,23,28)(H,25,26,27)
InChIKeyJLVSAEGUJAPXIE-UHFFFAOYSA-N
XLogP3.06
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586035
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207
2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586000
2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586030
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901375
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
CID 133428030
6-fluoro-N-(1-pyridin-2-ylazetidin-3-yl)quinazolin-4-amine
CID 146079954
2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 130248556
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146586037) is 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CC2(CC(Nc3ncnc4ccc(F)cc34)C2)C1.
What is the InChIKey of 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is JLVSAEGUJAPXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-12-3-4-17-16(6-12)19(26-11-25-17)27-13-7-21(8-13)9-14(10-21)29-20-15(18(23)28)2-1-5-24-20/h1-6,11,13-14H,7-10H2,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146586037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).