[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid

C29H27N5O5 — CID 118168581

IUPAC[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
SMILESN#Cc1cc(Nc2cc(Oc3ccc(NC(=O)O)c4ccccc34)ccn2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C29H27N5O5/c30-19-20-15-21(17-23(16-20)38-14-11-34-9-12-37-13-10-34)32-28-18-22(7-8-31-28)39-27-6-5-26(33-29(35)36)24-3-1-2-4-25(24)27/h1-8,15-18,33H,9-14H2,(H,31,32)(H,35,36)
InChIKeyKYBIHDWCCJQAFD-UHFFFAOYSA-N
MW525.57 g/mol
LogP5.44
Rot. Bonds9

About [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid

[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid (PubChem CID 118168581) has the molecular formula C29H27N5O5 and a molecular weight of 525.57 g/mol. Its IUPAC name is [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
PubChem CID118168581
Molecular FormulaC29H27N5O5
Molecular Weight525.57 g/mol
Exact Mass525.20
IUPAC Name[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
SMILESN#Cc1cc(Nc2cc(Oc3ccc(NC(=O)O)c4ccccc34)ccn2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C29H27N5O5/c30-19-20-15-21(17-23(16-20)38-14-11-34-9-12-37-13-10-34)32-28-18-22(7-8-31-28)39-27-6-5-26(33-29(35)36)24-3-1-2-4-25(24)27/h1-8,15-18,33H,9-14H2,(H,31,32)(H,35,36)
InChIKeyKYBIHDWCCJQAFD-UHFFFAOYSA-N
XLogP5.44
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid 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

[4-[[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90159624
[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 122653084
tert-butyl N-[4-[2-[3-ethynyl-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 131743233
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 137045422
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
3-[[4-[4-[[3-tert-butyl-5-(methanesulfonamido)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-ethynyl-N-(2-morpholin-4-ylethyl)benzamide
CID 86274981
[4-[[2-[3-ethynyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90422157
3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 73331165
3-[[4-[4-[[5-tert-butyl-3-(dimethylphosphanylmethyl)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 144866951
3-[[4-[4-(5-tert-butyl-N-carbamoyl-3-dimethylphosphoryl-2-methoxyanilino)naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-methyl-5-(2-morpholin-4-ylethoxy)benzamide
CID 122653067
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
The IUPAC name of [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid (CID 118168581) is [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid.
What is the SMILES notation for [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
The canonical SMILES for [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid is N#Cc1cc(Nc2cc(Oc3ccc(NC(=O)O)c4ccccc34)ccn2)cc(OCCN2CCOCC2)c1.
What is the InChIKey of [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
The InChIKey is KYBIHDWCCJQAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O5/c30-19-20-15-21(17-23(16-20)38-14-11-34-9-12-37-13-10-34)32-28-18-22(7-8-31-28)39-27-6-5-26(33-29(35)36)24-3-1-2-4-25(24)27/h1-8,15-18,33H,9-14H2,(H,31,32)(H,35,36).
What are the key properties of [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid has a molecular weight of 525.57 g/mol, XLogP of 5.44, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid is sourced from PubChem (CID 118168581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).