4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide

C29H31N5O4 — CID 118168324

IUPAC4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(Nc2cc(Oc3ccc(N)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C29H31N5O4/c1-36-27-18-20(6-7-24(27)29(35)32-12-13-34-14-16-37-17-15-34)33-28-19-21(10-11-31-28)38-26-9-8-25(30)22-4-2-3-5-23(22)26/h2-11,18-19H,12-17,30H2,1H3,(H,31,33)(H,32,35)
InChIKeyJLWBUWLLUXSMHM-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.42
Rot. Bonds9

About 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide

4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 118168324) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID118168324
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(Nc2cc(Oc3ccc(N)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C29H31N5O4/c1-36-27-18-20(6-7-24(27)29(35)32-12-13-34-14-16-37-17-15-34)33-28-19-21(10-11-31-28)38-26-9-8-25(30)22-4-2-3-5-23(22)26/h2-11,18-19H,12-17,30H2,1H3,(H,31,33)(H,32,35)
InChIKeyJLWBUWLLUXSMHM-UHFFFAOYSA-N
XLogP4.42
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 163793452
2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide
CID 145054534
4-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 145054558
4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[3-(1,4-oxazepan-4-yl)propyl]benzamide
CID 121255528
4-[[4-[4-[5-tert-butyl-N-carbamoyl-3-(methanesulfonamido)-2-methoxyanilino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[3-(1,4-oxazepan-4-yl)propyl]benzamide
CID 121255525
4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 121255568
4-[[4-[4-[5-tert-butyl-N-carbamoyl-3-(methanesulfonamido)-2-methoxyanilino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 121255567
4-[[4-[4-[[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 141485536
(2R)-2-amino-4-[4-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxybenzoyl]amino]ethyl]piperazin-1-yl]-4-oxobutanoic acid
CID 121255518
4-[[4-[4-[5-tert-butyl-N-carbamoyl-3-(methanesulfonamido)-2-methoxyanilino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 121268655
(2R)-2-amino-6-[4-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxybenzoyl]amino]ethyl]piperazin-1-yl]-6-oxohexanoic acid
CID 121255371
4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2-methoxybenzamide
CID 121255293

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 118168324) is 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(Nc2cc(Oc3ccc(N)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is JLWBUWLLUXSMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-36-27-18-20(6-7-24(27)29(35)32-12-13-34-14-16-37-17-15-34)33-28-19-21(10-11-31-28)38-26-9-8-25(30)22-4-2-3-5-23(22)26/h2-11,18-19H,12-17,30H2,1H3,(H,31,33)(H,32,35).
What are the key properties of 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 513.60 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 118168324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).