6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide

C20H26N4O2 — CID 142471204

IUPAC6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(C)C2CCC(c3nccc(C)n3)CC2)cn1
InChIInChI=1S/C20H26N4O2/c1-13-10-11-21-19(23-13)16-6-4-15(5-7-16)14(2)24-20(25)17-8-9-18(26-3)22-12-17/h8-12,14-16H,4-7H2,1-3H3,(H,24,25)
InChIKeyXRGPMJJCHAASJG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds5

About 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide

6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide (PubChem CID 142471204) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide
PubChem CID142471204
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(C)C2CCC(c3nccc(C)n3)CC2)cn1
InChIInChI=1S/C20H26N4O2/c1-13-10-11-21-19(23-13)16-6-4-15(5-7-16)14(2)24-20(25)17-8-9-18(26-3)22-12-17/h8-12,14-16H,4-7H2,1-3H3,(H,24,25)
InChIKeyXRGPMJJCHAASJG-UHFFFAOYSA-N
XLogP3.28
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide (CID 142471204) is 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide is COc1ccc(C(=O)NC(C)C2CCC(c3nccc(C)n3)CC2)cn1.
What is the InChIKey of 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide?
The InChIKey is XRGPMJJCHAASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-10-11-21-19(23-13)16-6-4-15(5-7-16)14(2)24-20(25)17-8-9-18(26-3)22-12-17/h8-12,14-16H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide?
6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[4-(4-methylpyrimidin-2-yl)cyclohexyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 142471204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).