N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide

C13H16N4O2 — CID 175950998

IUPACN-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCN1CCC(NC(=O)c2coc3ncncc23)CC1
InChIInChI=1S/C13H16N4O2/c1-17-4-2-9(3-5-17)16-12(18)11-7-19-13-10(11)6-14-8-15-13/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyKHXXYRBFOPKWDW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.05
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide

N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 175950998) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID175950998
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCN1CCC(NC(=O)c2coc3ncncc23)CC1
InChIInChI=1S/C13H16N4O2/c1-17-4-2-9(3-5-17)16-12(18)11-7-19-13-10(11)6-14-8-15-13/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyKHXXYRBFOPKWDW-UHFFFAOYSA-N
XLogP1.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
5-amino-2-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 54917300
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
5-ethenyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 155919871
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide
CID 143652684
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide (CID 175950998) is N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide is CN1CCC(NC(=O)c2coc3ncncc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KHXXYRBFOPKWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-4-2-9(3-5-17)16-12(18)11-7-19-13-10(11)6-14-8-15-13/h6-9H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide?
N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 175950998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).