N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C26H26N4O2 — CID 58447679

IUPACN-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CC=C(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)cn2)CC1
InChIInChI=1S/C26H26N4O2/c1-18-15-23(9-12-27-18)21-5-3-20(4-6-21)16-26(32)29-24-7-8-25(28-17-24)22-10-13-30(14-11-22)19(2)31/h3-10,12,15,17H,11,13-14,16H2,1-2H3,(H,29,32)
InChIKeyQLJHRDNWHQYYRA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.27
Rot. Bonds5

About N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 58447679) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID58447679
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CC=C(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)cn2)CC1
InChIInChI=1S/C26H26N4O2/c1-18-15-23(9-12-27-18)21-5-3-20(4-6-21)16-26(32)29-24-7-8-25(28-17-24)22-10-13-30(14-11-22)19(2)31/h3-10,12,15,17H,11,13-14,16H2,1-2H3,(H,29,32)
InChIKeyQLJHRDNWHQYYRA-UHFFFAOYSA-N
XLogP4.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 58447679) is N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is CC(=O)N1CC=C(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)cn2)CC1.
What is the InChIKey of N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is QLJHRDNWHQYYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-15-23(9-12-27-18)21-5-3-20(4-6-21)16-26(32)29-24-7-8-25(28-17-24)22-10-13-30(14-11-22)19(2)31/h3-10,12,15,17H,11,13-14,16H2,1-2H3,(H,29,32).
What are the key properties of N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 58447679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).