N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

C26H30FN5O2 — CID 156906833

IUPACN-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCCCC1
InChIInChI=1S/C26H30FN5O2/c27-21-9-5-7-19(15-21)12-14-30-25(33)24(20-8-6-13-28-16-20)32(22-10-3-1-2-4-11-22)26(34)23-17-29-18-31-23/h5-9,13,15-18,22,24H,1-4,10-12,14H2,(H,29,31)(H,30,33)
InChIKeyJOHOVSFIPSARNP-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.21
Rot. Bonds8

About N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (PubChem CID 156906833) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
PubChem CID156906833
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC NameN-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCCCC1
InChIInChI=1S/C26H30FN5O2/c27-21-9-5-7-19(15-21)12-14-30-25(33)24(20-8-6-13-28-16-20)32(22-10-3-1-2-4-11-22)26(34)23-17-29-18-31-23/h5-9,13,15-18,22,24H,1-4,10-12,14H2,(H,29,31)(H,30,33)
InChIKeyJOHOVSFIPSARNP-UHFFFAOYSA-N
XLogP4.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide
CID 156906844
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 156906837
N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
CID 156906600
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide
CID 156906789
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 156906950
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-5-hydroxy-4-(2-hydroxyethyl)pyrazolidine-3-carboxamide
CID 156906788
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 156906938
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]furan-2-carboxamide
CID 156906947
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 156906398
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (CID 156906833) is N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The InChIKey is JOHOVSFIPSARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c27-21-9-5-7-19(15-21)12-14-30-25(33)24(20-8-6-13-28-16-20)32(22-10-3-1-2-4-11-22)26(34)23-17-29-18-31-23/h5-9,13,15-18,22,24H,1-4,10-12,14H2,(H,29,31)(H,30,33).
What are the key properties of N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).