4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C17H21N5O — CID 53143942

IUPAC4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N5O/c18-15-14(16(23)19-11-13-7-3-1-4-8-13)12-20-17(21-15)22-9-5-2-6-10-22/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,23)(H2,18,20,21)
InChIKeyYVQQZPBORAHEQK-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide

4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 53143942) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID53143942
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N5O/c18-15-14(16(23)19-11-13-7-3-1-4-8-13)12-20-17(21-15)22-9-5-2-6-10-22/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,23)(H2,18,20,21)
InChIKeyYVQQZPBORAHEQK-UHFFFAOYSA-N
XLogP1.98
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 53143942) is 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide is Nc1nc(N2CCCCC2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is YVQQZPBORAHEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-15-14(16(23)19-11-13-7-3-1-4-8-13)12-20-17(21-15)22-9-5-2-6-10-22/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,23)(H2,18,20,21).
What are the key properties of 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).