2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide

C22H28N6O4 — CID 154973422

IUPAC2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide
SMILESCCOCCNc1cc(C(=O)Nc2nc3c(N4CCOCC4)ccc(OC)c3[nH]2)ccn1
InChIInChI=1S/C22H28N6O4/c1-3-31-11-8-24-18-14-15(6-7-23-18)21(29)27-22-25-19-16(28-9-12-32-13-10-28)4-5-17(30-2)20(19)26-22/h4-7,14H,3,8-13H2,1-2H3,(H,23,24)(H2,25,26,27,29)
InChIKeyNKAXXWVYKQZSME-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.50
Rot. Bonds9

About 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide

2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide (PubChem CID 154973422) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide
PubChem CID154973422
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide
SMILESCCOCCNc1cc(C(=O)Nc2nc3c(N4CCOCC4)ccc(OC)c3[nH]2)ccn1
InChIInChI=1S/C22H28N6O4/c1-3-31-11-8-24-18-14-15(6-7-23-18)21(29)27-22-25-19-16(28-9-12-32-13-10-28)4-5-17(30-2)20(19)26-22/h4-7,14H,3,8-13H2,1-2H3,(H,23,24)(H2,25,26,27,29)
InChIKeyNKAXXWVYKQZSME-UHFFFAOYSA-N
XLogP2.50
TPSA113.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethoxyethylamino)methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217318
2-(2-methoxyethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109166957
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]pyridine-4-carboxamide
CID 10160527
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-[(4-methoxypiperidin-1-yl)methyl]pyridine-4-carboxamide
CID 10289101
2-[benzyl(methyl)amino]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217629
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
4-chloro-3-[[ethyl(2-methoxyethyl)amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 10142689

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide (CID 154973422) is 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide is CCOCCNc1cc(C(=O)Nc2nc3c(N4CCOCC4)ccc(OC)c3[nH]2)ccn1.
What is the InChIKey of 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide?
The InChIKey is NKAXXWVYKQZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-3-31-11-8-24-18-14-15(6-7-23-18)21(29)27-22-25-19-16(28-9-12-32-13-10-28)4-5-17(30-2)20(19)26-22/h4-7,14H,3,8-13H2,1-2H3,(H,23,24)(H2,25,26,27,29).
What are the key properties of 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide?
2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 154973422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).