N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide

C22H29N7O2 — CID 146374973

IUPACN-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Nc2cccc3[nH]cnc23)ccn1
InChIInChI=1S/C22H29N7O2/c1-4-29(11-10-28(2)3)20(30)14-23-13-17-12-16(8-9-24-17)22(31)27-19-7-5-6-18-21(19)26-15-25-18/h5-9,12,15,23H,4,10-11,13-14H2,1-3H3,(H,25,26)(H,27,31)
InChIKeyIRHYXPDVANSWKJ-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.71
Rot. Bonds10

About N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide

N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide (PubChem CID 146374973) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
PubChem CID146374973
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC NameN-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Nc2cccc3[nH]cnc23)ccn1
InChIInChI=1S/C22H29N7O2/c1-4-29(11-10-28(2)3)20(30)14-23-13-17-12-16(8-9-24-17)22(31)27-19-7-5-6-18-21(19)26-15-25-18/h5-9,12,15,23H,4,10-11,13-14H2,1-3H3,(H,25,26)(H,27,31)
InChIKeyIRHYXPDVANSWKJ-UHFFFAOYSA-N
XLogP1.71
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112523133
2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 126755698
2-[[[2-[2-[butyl(methyl)amino]ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylic acid
CID 177383169
[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
CID 146374976
N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide
CID 75496781
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide
CID 126755551

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide (CID 146374973) is N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide is CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Nc2cccc3[nH]cnc23)ccn1.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide?
The InChIKey is IRHYXPDVANSWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-4-29(11-10-28(2)3)20(30)14-23-13-17-12-16(8-9-24-17)22(31)27-19-7-5-6-18-21(19)26-15-25-18/h5-9,12,15,23H,4,10-11,13-14H2,1-3H3,(H,25,26)(H,27,31).
What are the key properties of N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide?
N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 146374973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).