1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide

C21H26N4O4 — CID 126676178

IUPAC1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cn(Cc2ccc(OCCN)cc2)c1=O
InChIInChI=1S/C21H26N4O4/c1-13-9-18(13)24-19(26)15-10-17(20(27)23-2)21(28)25(12-15)11-14-3-5-16(6-4-14)29-8-7-22/h3-6,10,12-13,18H,7-9,11,22H2,1-2H3,(H,23,27)(H,24,26)/t13-,18-/m0/s1
InChIKeyQFNOJBRAFMXKSZ-UGSOOPFHSA-N
MW398.46 g/mol
LogP0.73
Rot. Bonds8

About 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide

1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676178) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID126676178
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cn(Cc2ccc(OCCN)cc2)c1=O
InChIInChI=1S/C21H26N4O4/c1-13-9-18(13)24-19(26)15-10-17(20(27)23-2)21(28)25(12-15)11-14-3-5-16(6-4-14)29-8-7-22/h3-6,10,12-13,18H,7-9,11,22H2,1-2H3,(H,23,27)(H,24,26)/t13-,18-/m0/s1
InChIKeyQFNOJBRAFMXKSZ-UGSOOPFHSA-N
XLogP0.73
TPSA115.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676131
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832
5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676861
5-N-[(1S,2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675277
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676868
5-N-cyclobutyl-1-[(4-methoxy-3-methylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323934
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538193

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide (CID 126676178) is 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cn(Cc2ccc(OCCN)cc2)c1=O.
What is the InChIKey of 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is QFNOJBRAFMXKSZ-UGSOOPFHSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-13-9-18(13)24-19(26)15-10-17(20(27)23-2)21(28)25(12-15)11-14-3-5-16(6-4-14)29-8-7-22/h3-6,10,12-13,18H,7-9,11,22H2,1-2H3,(H,23,27)(H,24,26)/t13-,18-/m0/s1.
What are the key properties of 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide?
1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 398.46 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).