N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide

C19H20N6O4 — CID 55963125

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C19H20N6O4/c20-13-14-2-1-5-21-18(14)22-6-7-23-19(26)16-12-15(25(27)28)3-4-17(16)24-8-10-29-11-9-24/h1-5,12H,6-11H2,(H,21,22)(H,23,26)
InChIKeySQDNSMRHRQFJLR-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.54
Rot. Bonds7

About N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 55963125) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID55963125
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C19H20N6O4/c20-13-14-2-1-5-21-18(14)22-6-7-23-19(26)16-12-15(25(27)28)3-4-17(16)24-8-10-29-11-9-24/h1-5,12H,6-11H2,(H,21,22)(H,23,26)
InChIKeySQDNSMRHRQFJLR-UHFFFAOYSA-N
XLogP1.54
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

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N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
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2-morpholin-4-yl-5-nitro-N-(3-phenothiazin-10-ylpropyl)benzamide
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N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
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N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
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2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55782073
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55595517
N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 78767414

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 55963125) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide is N#Cc1cccnc1NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is SQDNSMRHRQFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c20-13-14-2-1-5-21-18(14)22-6-7-23-19(26)16-12-15(25(27)28)3-4-17(16)24-8-10-29-11-9-24/h1-5,12H,6-11H2,(H,21,22)(H,23,26).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 396.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 55963125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).