N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide

C21H24N4O3 — CID 164639413

IUPACN-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide
SMILESCN(CCCC(=O)NC[C@H]1c2ccccc2C(=O)N1C)C(=O)c1ccncc1
InChIInChI=1S/C21H24N4O3/c1-24(20(27)15-9-11-22-12-10-15)13-5-8-19(26)23-14-18-16-6-3-4-7-17(16)21(28)25(18)2/h3-4,6-7,9-12,18H,5,8,13-14H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyIIRQWQBTYSVCCG-SFHVURJKSA-N
MW380.45 g/mol
LogP1.88
Rot. Bonds7

About N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide

N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide (PubChem CID 164639413) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide
PubChem CID164639413
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide
SMILESCN(CCCC(=O)NC[C@H]1c2ccccc2C(=O)N1C)C(=O)c1ccncc1
InChIInChI=1S/C21H24N4O3/c1-24(20(27)15-9-11-22-12-10-15)13-5-8-19(26)23-14-18-16-6-3-4-7-17(16)21(28)25(18)2/h3-4,6-7,9-12,18H,5,8,13-14H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyIIRQWQBTYSVCCG-SFHVURJKSA-N
XLogP1.88
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide (CID 164639413) is N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide is CN(CCCC(=O)NC[C@H]1c2ccccc2C(=O)N1C)C(=O)c1ccncc1.
What is the InChIKey of N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide?
The InChIKey is IIRQWQBTYSVCCG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24(20(27)15-9-11-22-12-10-15)13-5-8-19(26)23-14-18-16-6-3-4-7-17(16)21(28)25(18)2/h3-4,6-7,9-12,18H,5,8,13-14H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide?
N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide is sourced from PubChem (CID 164639413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).