2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide

C20H26N4O3 — CID 46957188

IUPAC2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)nc(OC)n1
InChIInChI=1S/C20H26N4O3/c1-26-18-12-17(22-20(23-18)27-2)19(25)21-13-15-6-8-16(9-7-15)14-24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyMFZQWSFBQKAGKN-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.41
Rot. Bonds7

About 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide

2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 46957188) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID46957188
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)nc(OC)n1
InChIInChI=1S/C20H26N4O3/c1-26-18-12-17(22-20(23-18)27-2)19(25)21-13-15-6-8-16(9-7-15)14-24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyMFZQWSFBQKAGKN-UHFFFAOYSA-N
XLogP2.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide (CID 46957188) is 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is MFZQWSFBQKAGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-18-12-17(22-20(23-18)27-2)19(25)21-13-15-6-8-16(9-7-15)14-24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide?
2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46957188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).