4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide

C24H28N6O4 — CID 45487282

IUPAC4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3nccc4ncccc34)C[C@H]2C)cn1
InChIInChI=1S/C24H28N6O4/c1-15-14-29(22-17-6-5-8-26-18(17)7-9-27-22)10-11-30(15)24(32)16(2)34-21-13-28-19(23(31)25-3)12-20(21)33-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,25,31)/t15-,16+/m1/s1
InChIKeyMXGZJZWPSHCAPA-CVEARBPZSA-N
MW464.53 g/mol
LogP1.90
Rot. Bonds6

About 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide

4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 45487282) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
PubChem CID45487282
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3nccc4ncccc34)C[C@H]2C)cn1
InChIInChI=1S/C24H28N6O4/c1-15-14-29(22-17-6-5-8-26-18(17)7-9-27-22)10-11-30(15)24(32)16(2)34-21-13-28-19(23(31)25-3)12-20(21)33-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,25,31)/t15-,16+/m1/s1
InChIKeyMXGZJZWPSHCAPA-CVEARBPZSA-N
XLogP1.90
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide (CID 45487282) is 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3nccc4ncccc34)C[C@H]2C)cn1.
What is the InChIKey of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is MXGZJZWPSHCAPA-CVEARBPZSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15-14-29(22-17-6-5-8-26-18(17)7-9-27-22)10-11-30(15)24(32)16(2)34-21-13-28-19(23(31)25-3)12-20(21)33-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,25,31)/t15-,16+/m1/s1.
What are the key properties of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 45487282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).