N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide

C23H23ClFN5O2 — CID 171419239

IUPACN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C23H23ClFN5O2/c1-29(2)8-6-23(31)28-22-12-16(5-7-26-22)30-9-10-32-21-14-27-19(13-20(21)30)17-11-15(24)3-4-18(17)25/h3-5,7,11-14H,6,8-10H2,1-2H3,(H,26,28,31)
InChIKeySYRWBTHLWMKVJQ-UHFFFAOYSA-N
MW455.92 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide

N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide (PubChem CID 171419239) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide
PubChem CID171419239
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C23H23ClFN5O2/c1-29(2)8-6-23(31)28-22-12-16(5-7-26-22)30-9-10-32-21-14-27-19(13-20(21)30)17-11-15(24)3-4-18(17)25/h3-5,7,11-14H,6,8-10H2,1-2H3,(H,26,28,31)
InChIKeySYRWBTHLWMKVJQ-UHFFFAOYSA-N
XLogP4.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide
CID 174226695
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile
CID 163287327
N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propyl]-2-hydroxybenzamide
CID 174226698
N-[5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-3-pyridinyl]-3-(dimethylamino)propanamide
CID 164546138
N-(4-amino-2-pyridinyl)-3-(dimethylamino)propanamide
CID 162441543
2-[4-[3-[[4-[[6-(5-chloro-2-fluorophenyl)-3-methylpyridazin-4-yl]amino]-2-pyridinyl]amino]-3-oxopropyl]piperazin-1-yl]ethyl-methylcarbamic acid
CID 174166396
N-[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]-3-(dimethylamino)propanamide
CID 70660142
6-(5-chloro-2-fluorophenyl)-8-[5-[3-[methyl(oxetan-3-yl)amino]propanoylamino]-3-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
CID 174224339
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-[methyl-[(3-methyl-2,4-dioxooxolan-3-yl)methyl]amino]pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 175604641
tert-butyl 8-[5-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-3-pyridinyl]-6-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 164546069
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide?
The IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide (CID 171419239) is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide.
What is the SMILES notation for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide?
The canonical SMILES for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1.
What is the InChIKey of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide?
The InChIKey is SYRWBTHLWMKVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c1-29(2)8-6-23(31)28-22-12-16(5-7-26-22)30-9-10-32-21-14-27-19(13-20(21)30)17-11-15(24)3-4-18(17)25/h3-5,7,11-14H,6,8-10H2,1-2H3,(H,26,28,31).
What are the key properties of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide?
N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide has a molecular weight of 455.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide is sourced from PubChem (CID 171419239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).