N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C26H30N6O2 — CID 58447744

IUPACN-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@H]1C
InChIInChI=1S/C26H30N6O2/c1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-23-5-6-24(28-15-23)31-9-10-32(20(4)33)19(3)16-31/h5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,30,34)/t19-/m1/s1
InChIKeyBWMCXCGQZHGQHP-LJQANCHMSA-N
MW458.57 g/mol
LogP3.39
Rot. Bonds5

About N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 58447744) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID58447744
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@H]1C
InChIInChI=1S/C26H30N6O2/c1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-23-5-6-24(28-15-23)31-9-10-32(20(4)33)19(3)16-31/h5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,30,34)/t19-/m1/s1
InChIKeyBWMCXCGQZHGQHP-LJQANCHMSA-N
XLogP3.39
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 58447744) is N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@H]1C.
What is the InChIKey of N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is BWMCXCGQZHGQHP-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-23-5-6-24(28-15-23)31-9-10-32(20(4)33)19(3)16-31/h5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,30,34)/t19-/m1/s1.
What are the key properties of N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 458.57 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).