N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide

C19H22N4O3 — CID 87044150

IUPACN-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)n1
InChIInChI=1S/C19H22N4O3/c1-14-4-2-6-16(21-14)13-20-18(24)19(25)22-15-5-3-7-17(12-15)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,22,25)
InChIKeyZVCQPOAIMHWOQO-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.48
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide

N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide (PubChem CID 87044150) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
PubChem CID87044150
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)n1
InChIInChI=1S/C19H22N4O3/c1-14-4-2-6-16(21-14)13-20-18(24)19(25)22-15-5-3-7-17(12-15)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,22,25)
InChIKeyZVCQPOAIMHWOQO-UHFFFAOYSA-N
XLogP1.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612977
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136527153
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51052710
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039300
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide (CID 87044150) is N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide is Cc1cccc(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The InChIKey is ZVCQPOAIMHWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-4-2-6-16(21-14)13-20-18(24)19(25)22-15-5-3-7-17(12-15)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide has a molecular weight of 354.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 87044150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).