N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C24H31N5O2 — CID 16964061

IUPACN-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCCC(C)N(C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21)C(C)CC
InChIInChI=1S/C24H31N5O2/c1-5-17(3)29(18(4)6-2)23(30)16-28-21-12-8-7-11-20(21)27-22(28)15-26-24(31)19-10-9-13-25-14-19/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,26,31)
InChIKeyFITJOBYVDRWLLX-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.79
Rot. Bonds9

About N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16964061) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16964061
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCCC(C)N(C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21)C(C)CC
InChIInChI=1S/C24H31N5O2/c1-5-17(3)29(18(4)6-2)23(30)16-28-21-12-8-7-11-20(21)27-22(28)15-26-24(31)19-10-9-13-25-14-19/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,26,31)
InChIKeyFITJOBYVDRWLLX-UHFFFAOYSA-N
XLogP3.79
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964522
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964062
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006928
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964363
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16964061) is N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is CCC(C)N(C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21)C(C)CC.
What is the InChIKey of N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is FITJOBYVDRWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-5-17(3)29(18(4)6-2)23(30)16-28-21-12-8-7-11-20(21)27-22(28)15-26-24(31)19-10-9-13-25-14-19/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,26,31).
What are the key properties of N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).