4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

C23H25N3O2 — CID 155517870

IUPAC4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCCNc1cc(-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc2)ccn1
InChIInChI=1S/C23H25N3O2/c1-4-24-22-15-20(12-13-25-22)17-8-10-18(11-9-17)23(27)26-16(2)19-6-5-7-21(14-19)28-3/h5-16H,4H2,1-3H3,(H,24,25)(H,26,27)/t16-/m1/s1
InChIKeyRDUPVBJTHKQRTR-MRXNPFEDSA-N
MW375.47 g/mol
LogP4.68
Rot. Bonds7

About 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 155517870) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID155517870
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCCNc1cc(-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc2)ccn1
InChIInChI=1S/C23H25N3O2/c1-4-24-22-15-20(12-13-25-22)17-8-10-18(11-9-17)23(27)26-16(2)19-6-5-7-21(14-19)28-3/h5-16H,4H2,1-3H3,(H,24,25)(H,26,27)/t16-/m1/s1
InChIKeyRDUPVBJTHKQRTR-MRXNPFEDSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide (CID 155517870) is 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide is CCNc1cc(-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc2)ccn1.
What is the InChIKey of 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is RDUPVBJTHKQRTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-24-22-15-20(12-13-25-22)17-8-10-18(11-9-17)23(27)26-16(2)19-6-5-7-21(14-19)28-3/h5-16H,4H2,1-3H3,(H,24,25)(H,26,27)/t16-/m1/s1.
What are the key properties of 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 155517870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).