1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide

C12H15N5O — CID 107544065

IUPAC1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nccc(C#N)n1
InChIInChI=1S/C12H15N5O/c1-8-2-3-9(11(14)18)7-17(8)12-15-5-4-10(6-13)16-12/h4-5,8-9H,2-3,7H2,1H3,(H2,14,18)
InChIKeySCHAUZDQKTYZOH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.44
Rot. Bonds2

About 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide

1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 107544065) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
PubChem CID107544065
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nccc(C#N)n1
InChIInChI=1S/C12H15N5O/c1-8-2-3-9(11(14)18)7-17(8)12-15-5-4-10(6-13)16-12/h4-5,8-9H,2-3,7H2,1H3,(H2,14,18)
InChIKeySCHAUZDQKTYZOH-UHFFFAOYSA-N
XLogP0.44
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide (CID 107544065) is 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nccc(C#N)n1.
What is the InChIKey of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is SCHAUZDQKTYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-2-3-9(11(14)18)7-17(8)12-15-5-4-10(6-13)16-12/h4-5,8-9H,2-3,7H2,1H3,(H2,14,18).
What are the key properties of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 107544065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).