2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide

C24H26ClN5O3 — CID 69090152

IUPAC2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccc2C(N)=O)c(Cl)cn1
InChIInChI=1S/C24H26ClN5O3/c1-32-22-12-17(30-8-10-33-11-9-30)6-7-20(22)29-23-13-21(19(25)15-28-23)27-14-16-4-2-3-5-18(16)24(26)31/h2-7,12-13,15H,8-11,14H2,1H3,(H2,26,31)(H2,27,28,29)
InChIKeyHDQIDAHHGCHNFI-UHFFFAOYSA-N
MW467.96 g/mol
LogP4.03
Rot. Bonds8

About 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide

2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide (PubChem CID 69090152) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide
PubChem CID69090152
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccc2C(N)=O)c(Cl)cn1
InChIInChI=1S/C24H26ClN5O3/c1-32-22-12-17(30-8-10-33-11-9-30)6-7-20(22)29-23-13-21(19(25)15-28-23)27-14-16-4-2-3-5-18(16)24(26)31/h2-7,12-13,15H,8-11,14H2,1H3,(H2,26,31)(H2,27,28,29)
InChIKeyHDQIDAHHGCHNFI-UHFFFAOYSA-N
XLogP4.03
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 25072546
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 90842896
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660
2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine
CID 58155079
N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 66957852
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 117076920
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
6-(2-chloro-5-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 171909100
1-[4-[4-[[5-chloro-4-(oxan-4-ylmethylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 162732578
2-[[5-bromo-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
CID 142677202

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide (CID 69090152) is 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide is COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccc2C(N)=O)c(Cl)cn1.
What is the InChIKey of 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide?
The InChIKey is HDQIDAHHGCHNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-32-22-12-17(30-8-10-33-11-9-30)6-7-20(22)29-23-13-21(19(25)15-28-23)27-14-16-4-2-3-5-18(16)24(26)31/h2-7,12-13,15H,8-11,14H2,1H3,(H2,26,31)(H2,27,28,29).
What are the key properties of 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide?
2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide has a molecular weight of 467.96 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 69090152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).