N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

C22H26N4O5 — CID 172664819

IUPACN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3c(C)ccn(CCN4CCOCC4)c3=O)nc2c1
InChIInChI=1S/C22H26N4O5/c1-15-5-6-26(8-7-25-9-11-30-12-10-25)22(28)20(15)21(27)23-14-19-24-17-13-16(29-2)3-4-18(17)31-19/h3-6,13H,7-12,14H2,1-2H3,(H,23,27)
InChIKeyQYHNNKQKWLNRNH-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.57
Rot. Bonds7

About N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172664819) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
PubChem CID172664819
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3c(C)ccn(CCN4CCOCC4)c3=O)nc2c1
InChIInChI=1S/C22H26N4O5/c1-15-5-6-26(8-7-25-9-11-30-12-10-25)22(28)20(15)21(27)23-14-19-24-17-13-16(29-2)3-4-18(17)31-19/h3-6,13H,7-12,14H2,1-2H3,(H,23,27)
InChIKeyQYHNNKQKWLNRNH-UHFFFAOYSA-N
XLogP1.57
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 172660022
(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125438312
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
1-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511243
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-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172666948
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124843358
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91835467
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (CID 172664819) is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is COc1ccc2oc(CNC(=O)c3c(C)ccn(CCN4CCOCC4)c3=O)nc2c1.
What is the InChIKey of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is QYHNNKQKWLNRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-15-5-6-26(8-7-25-9-11-30-12-10-25)22(28)20(15)21(27)23-14-19-24-17-13-16(29-2)3-4-18(17)31-19/h3-6,13H,7-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).