N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide

C24H30N4O3 — CID 59541797

IUPACN-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ncccc4O)CC3)C2)c1
InChIInChI=1S/C24H30N4O3/c1-16-4-2-5-18(12-16)24(31)26-13-22(30)27-19-14-28(15-19)20-9-7-17(8-10-20)23-21(29)6-3-11-25-23/h2-6,11-12,17,19-20,29H,7-10,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyWDNBXVIVGLZTLY-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 59541797) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID59541797
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ncccc4O)CC3)C2)c1
InChIInChI=1S/C24H30N4O3/c1-16-4-2-5-18(12-16)24(31)26-13-22(30)27-19-14-28(15-19)20-9-7-17(8-10-20)23-21(29)6-3-11-25-23/h2-6,11-12,17,19-20,29H,7-10,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyWDNBXVIVGLZTLY-UHFFFAOYSA-N
XLogP2.35
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide with MolForge

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Related Compounds

N-[2-[[1-[4-hydroxy-4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 70880486
N-[2-[[1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 59541907
3-methyl-N-[2-oxo-2-[[1-[4-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]azetidin-3-yl]amino]ethyl]benzamide
CID 59541764
N-[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 70880483
N-[2-[[1-[4-[1-(cyanomethyl)-6-oxo-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 88908344
N-[2-[[1-[4-[6-(dimethylamino)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 59361563
N-[2-[[1-[4-hydroxy-4-[3-(methanesulfonamido)phenyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 70842047
N-[2-[[1-[4-(5-acetamido-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46945051
N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46927117
N-[2-[[1-[4-(5-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46945255
3-methyl-N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]benzamide
CID 63373773
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 59541797) is N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ncccc4O)CC3)C2)c1.
What is the InChIKey of N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is WDNBXVIVGLZTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-4-2-5-18(12-16)24(31)26-13-22(30)27-19-14-28(15-19)20-9-7-17(8-10-20)23-21(29)6-3-11-25-23/h2-6,11-12,17,19-20,29H,7-10,13-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 59541797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).