N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide

C19H19N5O — CID 2980336

IUPACN-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N5O/c25-19(22-17-8-3-6-15-5-1-2-7-16(15)17)24-13-11-23(12-14-24)18-20-9-4-10-21-18/h1-10H,11-14H2,(H,22,25)
InChIKeyREZLJLLUNLJTNE-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.98
Rot. Bonds2

About N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 2980336) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID2980336
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N5O/c25-19(22-17-8-3-6-15-5-1-2-7-16(15)17)24-13-11-23(12-14-24)18-20-9-4-10-21-18/h1-10H,11-14H2,(H,22,25)
InChIKeyREZLJLLUNLJTNE-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 2980336) is N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is REZLJLLUNLJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(22-17-8-3-6-15-5-1-2-7-16(15)17)24-13-11-23(12-14-24)18-20-9-4-10-21-18/h1-10H,11-14H2,(H,22,25).
What are the key properties of N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 2980336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).