6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide

C18H23N5O2 — CID 110117377

IUPAC6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2cnc(C)nc2C2CCCN2C)cn1
InChIInChI=1S/C18H23N5O2/c1-12-19-10-14(17(22-12)15-5-4-8-23(15)2)11-21-18(24)13-6-7-16(25-3)20-9-13/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,21,24)
InChIKeyDYUYHSPYKKBIJK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.89
Rot. Bonds5

About 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide

6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 110117377) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
PubChem CID110117377
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2cnc(C)nc2C2CCCN2C)cn1
InChIInChI=1S/C18H23N5O2/c1-12-19-10-14(17(22-12)15-5-4-8-23(15)2)11-21-18(24)13-6-7-16(25-3)20-9-13/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,21,24)
InChIKeyDYUYHSPYKKBIJK-UHFFFAOYSA-N
XLogP1.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide (CID 110117377) is 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCc2cnc(C)nc2C2CCCN2C)cn1.
What is the InChIKey of 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DYUYHSPYKKBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-19-10-14(17(22-12)15-5-4-8-23(15)2)11-21-18(24)13-6-7-16(25-3)20-9-13/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,21,24).
What are the key properties of 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide?
6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110117377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).