N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide

C22H29ClN4O2 — CID 118917725

IUPACN-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide
SMILESCCC(CNc1ccc(Cl)cn1)N(C)C(=O)c1cc(C)ccc1N1CCOCC1
InChIInChI=1S/C22H29ClN4O2/c1-4-18(15-25-21-8-6-17(23)14-24-21)26(3)22(28)19-13-16(2)5-7-20(19)27-9-11-29-12-10-27/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,24,25)
InChIKeyOVPZBJZVXBFSJZ-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.84
Rot. Bonds7

About N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide

N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide (PubChem CID 118917725) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide
PubChem CID118917725
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC NameN-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide
SMILESCCC(CNc1ccc(Cl)cn1)N(C)C(=O)c1cc(C)ccc1N1CCOCC1
InChIInChI=1S/C22H29ClN4O2/c1-4-18(15-25-21-8-6-17(23)14-24-21)26(3)22(28)19-13-16(2)5-7-20(19)27-9-11-29-12-10-27/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,24,25)
InChIKeyOVPZBJZVXBFSJZ-UHFFFAOYSA-N
XLogP3.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide with MolForge

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Related Compounds

N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 118917706
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
5-chloro-N-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-yl]benzamide
CID 118917698
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
CID 91791359
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
CID 162592429
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide (CID 118917725) is N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide is CCC(CNc1ccc(Cl)cn1)N(C)C(=O)c1cc(C)ccc1N1CCOCC1.
What is the InChIKey of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide?
The InChIKey is OVPZBJZVXBFSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c1-4-18(15-25-21-8-6-17(23)14-24-21)26(3)22(28)19-13-16(2)5-7-20(19)27-9-11-29-12-10-27/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,24,25).
What are the key properties of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide?
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide has a molecular weight of 416.95 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 118917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).