N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H20N4O2 — CID 42885947

IUPACN-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H20N4O2/c1-19(12-14-6-3-10-22-14)15(21)13-5-2-9-20(11-13)16-17-7-4-8-18-16/h3-4,6-8,10,13H,2,5,9,11-12H2,1H3
InChIKeyPQKFDGKIEFINQH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.94
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 42885947) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID42885947
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H20N4O2/c1-19(12-14-6-3-10-22-14)15(21)13-5-2-9-20(11-13)16-17-7-4-8-18-16/h3-4,6-8,10,13H,2,5,9,11-12H2,1H3
InChIKeyPQKFDGKIEFINQH-UHFFFAOYSA-N
XLogP1.94
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 42885947) is N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is CN(Cc1ccco1)C(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is PQKFDGKIEFINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19(12-14-6-3-10-22-14)15(21)13-5-2-9-20(11-13)16-17-7-4-8-18-16/h3-4,6-8,10,13H,2,5,9,11-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42885947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).