N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide

C24H26N6O2 — CID 142853037

IUPACN-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide
SMILESCCC(C)(C)c1ccc(NC(=O)c2cccnc2Nc2ccc3[nH]c(=O)[nH]c3c2)cc1N
InChIInChI=1S/C24H26N6O2/c1-4-24(2,3)17-9-7-14(12-18(17)25)28-22(31)16-6-5-11-26-21(16)27-15-8-10-19-20(13-15)30-23(32)29-19/h5-13H,4,25H2,1-3H3,(H,26,27)(H,28,31)(H2,29,30,32)
InChIKeyUIBMFLUWYIIYPK-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.52
Rot. Bonds6

About N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide

N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 142853037) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID142853037
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide
SMILESCCC(C)(C)c1ccc(NC(=O)c2cccnc2Nc2ccc3[nH]c(=O)[nH]c3c2)cc1N
InChIInChI=1S/C24H26N6O2/c1-4-24(2,3)17-9-7-14(12-18(17)25)28-22(31)16-6-5-11-26-21(16)27-15-8-10-19-20(13-15)30-23(32)29-19/h5-13H,4,25H2,1-3H3,(H,26,27)(H,28,31)(H2,29,30,32)
InChIKeyUIBMFLUWYIIYPK-UHFFFAOYSA-N
XLogP4.52
TPSA128.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide (CID 142853037) is N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide is CCC(C)(C)c1ccc(NC(=O)c2cccnc2Nc2ccc3[nH]c(=O)[nH]c3c2)cc1N.
What is the InChIKey of N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is UIBMFLUWYIIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-4-24(2,3)17-9-7-14(12-18(17)25)28-22(31)16-6-5-11-26-21(16)27-15-8-10-19-20(13-15)30-23(32)29-19/h5-13H,4,25H2,1-3H3,(H,26,27)(H,28,31)(H2,29,30,32).
What are the key properties of N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide?
N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(2-methylbutan-2-yl)phenyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 142853037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).