4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

C22H30N4O4 — CID 172664470

IUPAC4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)NCCCn1c(C)cccc1=O
InChIInChI=1S/C22H30N4O4/c1-17-7-10-25(12-11-24-13-15-30-16-14-24)22(29)20(17)21(28)23-8-4-9-26-18(2)5-3-6-19(26)27/h3,5-7,10H,4,8-9,11-16H2,1-2H3,(H,23,28)
InChIKeySFFOMXYIWMKYTF-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.78
Rot. Bonds8

About 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172664470) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
PubChem CID172664470
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)NCCCn1c(C)cccc1=O
InChIInChI=1S/C22H30N4O4/c1-17-7-10-25(12-11-24-13-15-30-16-14-24)22(29)20(17)21(28)23-8-4-9-26-18(2)5-3-6-19(26)27/h3,5-7,10H,4,8-9,11-16H2,1-2H3,(H,23,28)
InChIKeySFFOMXYIWMKYTF-UHFFFAOYSA-N
XLogP0.78
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669382
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 172660022
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide
CID 175640604
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
CID 172668924
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide
CID 97197940
N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 172656685
N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664746
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (CID 172664470) is 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)NCCCn1c(C)cccc1=O.
What is the InChIKey of 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is SFFOMXYIWMKYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-17-7-10-25(12-11-24-13-15-30-16-14-24)22(29)20(17)21(28)23-8-4-9-26-18(2)5-3-6-19(26)27/h3,5-7,10H,4,8-9,11-16H2,1-2H3,(H,23,28).
What are the key properties of 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).