N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

C26H27N7O2 — CID 166040785

IUPACN-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESN#Cc1nc(C2CC2)ccc1N(C(=O)c1cnc[nH]1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C26H27N7O2/c27-13-21-23(11-10-20(32-21)17-8-9-17)33(26(35)22-15-29-16-30-22)24(18-5-4-12-28-14-18)25(34)31-19-6-2-1-3-7-19/h4-5,10-12,14-17,19,24H,1-3,6-9H2,(H,29,30)(H,31,34)
InChIKeyNZZYYPQSMZGBMR-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.79
Rot. Bonds7

About N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (PubChem CID 166040785) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
PubChem CID166040785
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC NameN-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESN#Cc1nc(C2CC2)ccc1N(C(=O)c1cnc[nH]1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C26H27N7O2/c27-13-21-23(11-10-20(32-21)17-8-9-17)33(26(35)22-15-29-16-30-22)24(18-5-4-12-28-14-18)25(34)31-19-6-2-1-3-7-19/h4-5,10-12,14-17,19,24H,1-3,6-9H2,(H,29,30)(H,31,34)
InChIKeyNZZYYPQSMZGBMR-UHFFFAOYSA-N
XLogP3.79
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (CID 166040785) is N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is N#Cc1nc(C2CC2)ccc1N(C(=O)c1cnc[nH]1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The InChIKey is NZZYYPQSMZGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c27-13-21-23(11-10-20(32-21)17-8-9-17)33(26(35)22-15-29-16-30-22)24(18-5-4-12-28-14-18)25(34)31-19-6-2-1-3-7-19/h4-5,10-12,14-17,19,24H,1-3,6-9H2,(H,29,30)(H,31,34).
What are the key properties of N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 166040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).