N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide

C19H24N4O2 — CID 131906584

IUPACN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
SMILESCc1cnccc1NCCNC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-15-14-20-7-6-18(15)21-8-9-22-19(24)16-2-4-17(5-3-16)23-10-12-25-13-11-23/h2-7,14H,8-13H2,1H3,(H,20,21)(H,22,24)
InChIKeyMWUCQVHPFPHBBW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.07
Rot. Bonds6

About N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide (PubChem CID 131906584) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
PubChem CID131906584
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
SMILESCc1cnccc1NCCNC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-15-14-20-7-6-18(15)21-8-9-22-19(24)16-2-4-17(5-3-16)23-10-12-25-13-11-23/h2-7,14H,8-13H2,1H3,(H,20,21)(H,22,24)
InChIKeyMWUCQVHPFPHBBW-UHFFFAOYSA-N
XLogP2.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 131935565
2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
CID 131933198
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide (CID 131906584) is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide is Cc1cnccc1NCCNC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide?
The InChIKey is MWUCQVHPFPHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-14-20-7-6-18(15)21-8-9-22-19(24)16-2-4-17(5-3-16)23-10-12-25-13-11-23/h2-7,14H,8-13H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide?
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide has a molecular weight of 340.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 131906584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).