N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate

C21H23FN5O4- — CID 23153186

IUPACN-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate
SMILESO=C([O-])Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCC4)CC3)c2)cc1F
InChIInChI=1S/C21H24FN5O4/c22-17-12-15(2-3-18(17)24-21(29)30)31-16-4-7-23-19(13-16)25-20(28)27-10-5-14(6-11-27)26-8-1-9-26/h2-4,7,12-14,24H,1,5-6,8-11H2,(H,29,30)(H,23,25,28)/p-1
InChIKeySLAOQGYCXJTCKS-UHFFFAOYSA-M
MW428.44 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate

N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate (PubChem CID 23153186) has the molecular formula C21H23FN5O4- and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate.

Molecular Properties

Compound NameN-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate
PubChem CID23153186
Molecular FormulaC21H23FN5O4-
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate
SMILESO=C([O-])Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCC4)CC3)c2)cc1F
InChIInChI=1S/C21H24FN5O4/c22-17-12-15(2-3-18(17)24-21(29)30)31-16-4-7-23-19(13-16)25-20(28)27-10-5-14(6-11-27)26-8-1-9-26/h2-4,7,12-14,24H,1,5-6,8-11H2,(H,29,30)(H,23,25,28)/p-1
InChIKeySLAOQGYCXJTCKS-UHFFFAOYSA-M
XLogP2.47
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate 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

N-[4-[3-fluoro-4-[[2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopropyl]acetyl]amino]phenoxy]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide;hydrochloride
CID 131730212
1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 59596932
N-[4-[3-fluoro-4-[[[[2-(4-fluorocyclohexa-1,3-dien-1-yl)acetyl]amino]-hydroxymethyl]amino]phenoxy]-2-pyridinyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 163934672
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 141315174
1-N'-[2-fluoro-4-[[2-[(4-methoxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 59596955
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23153163
N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 89003451
N-[4-[3-fluoro-4-[2-[1-[(4-fluorophenyl)carbamoyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 155539567
1-N'-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-2-fluorophenyl]-2-[2-carbamoyl-2-[[2-fluoro-4-[[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-(4-fluorophenyl)carbamoyl]cyclopropyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 87373399
1-N'-[4-[[2-[[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 59596901
1-N'-[2-fluoro-4-[[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrochloride
CID 67135964

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate?
The IUPAC name of N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate (CID 23153186) is N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate.
What is the SMILES notation for N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate?
The canonical SMILES for N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate is O=C([O-])Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCC4)CC3)c2)cc1F.
What is the InChIKey of N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate?
The InChIKey is SLAOQGYCXJTCKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24FN5O4/c22-17-12-15(2-3-18(17)24-21(29)30)31-16-4-7-23-19(13-16)25-20(28)27-10-5-14(6-11-27)26-8-1-9-26/h2-4,7,12-14,24H,1,5-6,8-11H2,(H,29,30)(H,23,25,28)/p-1.
What are the key properties of N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate?
N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate has a molecular weight of 428.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate is sourced from PubChem (CID 23153186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).