N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide

C24H27N3O2 — CID 46881528

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1
InChIKeySTJHLKDYKRBSBU-QHCPKHFHSA-N
MW389.50 g/mol
LogP3.82
Rot. Bonds8

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide (PubChem CID 46881528) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide
PubChem CID46881528
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1
InChIKeySTJHLKDYKRBSBU-QHCPKHFHSA-N
XLogP3.82
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 22336121
CID 22336121
CID 44592693
CID 44592693
CID 11235459
CID 11235459
CID 24950568
CID 24950568
CID 42639651
CID 42639651
CID 42639968
CID 42639968
CID 42640119
CID 42640119
CID 44560791
CID 44560791
CID 68513305
CID 68513305
CID 16222940
CID 16222940
CID 44591507
CID 44591507
CID 24949724
CID 24949724

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide (CID 46881528) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide?
The InChIKey is STJHLKDYKRBSBU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 46881528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).