N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

C29H29N5O4S — CID 18422086

IUPACN-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1nc(COc2ccc(C(=O)Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)cc2)cs1
InChIInChI=1S/C29H29N5O4S/c1-19-3-6-23(32-29(36)22-9-10-30-27(15-22)34-11-13-37-14-12-34)16-26(19)33-28(35)21-4-7-25(8-5-21)38-17-24-18-39-20(2)31-24/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyBSYDZPCFCUVMPO-UHFFFAOYSA-N
MW543.65 g/mol
LogP5.08
Rot. Bonds8

About N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 18422086) has the molecular formula C29H29N5O4S and a molecular weight of 543.65 g/mol. Its IUPAC name is N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID18422086
Molecular FormulaC29H29N5O4S
Molecular Weight543.65 g/mol
Exact Mass543.19
IUPAC NameN-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1nc(COc2ccc(C(=O)Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)cc2)cs1
InChIInChI=1S/C29H29N5O4S/c1-19-3-6-23(32-29(36)22-9-10-30-27(15-22)34-11-13-37-14-12-34)16-26(19)33-28(35)21-4-7-25(8-5-21)38-17-24-18-39-20(2)31-24/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyBSYDZPCFCUVMPO-UHFFFAOYSA-N
XLogP5.08
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 18422086) is N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1nc(COc2ccc(C(=O)Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)cc2)cs1.
What is the InChIKey of N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is BSYDZPCFCUVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4S/c1-19-3-6-23(32-29(36)22-9-10-30-27(15-22)34-11-13-37-14-12-34)16-26(19)33-28(35)21-4-7-25(8-5-21)38-17-24-18-39-20(2)31-24/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 543.65 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 18422086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).