2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C24H25N5O4 — CID 60525474

IUPAC2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C24H25N5O4/c30-24(20-15-19(29(31)32)8-9-22(20)27-11-13-33-14-12-27)25-18-6-4-17(5-7-18)21-16-28-10-2-1-3-23(28)26-21/h4-9,15-16H,1-3,10-14H2,(H,25,30)
InChIKeyWPADBJKBFHZPTB-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.88
Rot. Bonds5

About 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 60525474) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID60525474
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C24H25N5O4/c30-24(20-15-19(29(31)32)8-9-22(20)27-11-13-33-14-12-27)25-18-6-4-17(5-7-18)21-16-28-10-2-1-3-23(28)26-21/h4-9,15-16H,1-3,10-14H2,(H,25,30)
InChIKeyWPADBJKBFHZPTB-UHFFFAOYSA-N
XLogP3.88
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525812
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095166
N-(4-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 19629642
N-(3-ethynylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31036555
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095630
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide
CID 26893855

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 60525474) is 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is WPADBJKBFHZPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c30-24(20-15-19(29(31)32)8-9-22(20)27-11-13-33-14-12-27)25-18-6-4-17(5-7-18)21-16-28-10-2-1-3-23(28)26-21/h4-9,15-16H,1-3,10-14H2,(H,25,30).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 447.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 60525474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).