N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C26H30N8O — CID 143254630

IUPACN-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(-c2nc3ccc(NC(=O)c4ccc(N5CCN(C)CC5)nc4)cc3[nH]2)cn1
InChIInChI=1S/C26H30N8O/c1-32(2)17-21-6-4-18(15-27-21)25-30-22-8-7-20(14-23(22)31-25)29-26(35)19-5-9-24(28-16-19)34-12-10-33(3)11-13-34/h4-9,14-16H,10-13,17H2,1-3H3,(H,29,35)(H,30,31)
InChIKeyDHICGSUQJGCRHS-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 143254630) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID143254630
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC NameN-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(-c2nc3ccc(NC(=O)c4ccc(N5CCN(C)CC5)nc4)cc3[nH]2)cn1
InChIInChI=1S/C26H30N8O/c1-32(2)17-21-6-4-18(15-27-21)25-30-22-8-7-20(14-23(22)31-25)29-26(35)19-5-9-24(28-16-19)34-12-10-33(3)11-13-34/h4-9,14-16H,10-13,17H2,1-3H3,(H,29,35)(H,30,31)
InChIKeyDHICGSUQJGCRHS-UHFFFAOYSA-N
XLogP3.09
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-2-pyrrolidin-1-yl-1,2-dihydrophosphinine-5-carboxamide
CID 143254649
N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 135453096
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 143254615
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 136543255
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
CID 142709338
6-[[2-(dimethylamino)acetyl]amino]-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 143254703
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide
CID 165427987
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 143254630) is N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN(C)Cc1ccc(-c2nc3ccc(NC(=O)c4ccc(N5CCN(C)CC5)nc4)cc3[nH]2)cn1.
What is the InChIKey of N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is DHICGSUQJGCRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-32(2)17-21-6-4-18(15-27-21)25-30-22-8-7-20(14-23(22)31-25)29-26(35)19-5-9-24(28-16-19)34-12-10-33(3)11-13-34/h4-9,14-16H,10-13,17H2,1-3H3,(H,29,35)(H,30,31).
What are the key properties of N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 143254630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).