N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide

C31H27N5O2 — CID 167098741

IUPACN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H27N5O2/c1-22(23-9-4-2-5-10-23)35-30(37)29(26-13-8-18-32-19-26)36(31(38)28-20-33-21-34-28)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-22,29H,1H3,(H,33,34)(H,35,37)/t22-,29?/m0/s1
InChIKeyRZTKCADKVFEBSP-RBQQCVMASA-N
MW501.59 g/mol
LogP5.74
Rot. Bonds8

About N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 167098741) has the molecular formula C31H27N5O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
PubChem CID167098741
Molecular FormulaC31H27N5O2
Molecular Weight501.59 g/mol
Exact Mass501.22
IUPAC NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H27N5O2/c1-22(23-9-4-2-5-10-23)35-30(37)29(26-13-8-18-32-19-26)36(31(38)28-20-33-21-34-28)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-22,29H,1H3,(H,33,34)(H,35,37)/t22-,29?/m0/s1
InChIKeyRZTKCADKVFEBSP-RBQQCVMASA-N
XLogP5.74
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide (CID 167098741) is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide is C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is RZTKCADKVFEBSP-RBQQCVMASA-N. The full InChI is InChI=1S/C31H27N5O2/c1-22(23-9-4-2-5-10-23)35-30(37)29(26-13-8-18-32-19-26)36(31(38)28-20-33-21-34-28)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-22,29H,1H3,(H,33,34)(H,35,37)/t22-,29?/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167098741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).