N-pyrimidin-2-ylnaphthalene-1-carboxamide

C15H11N3O — CID 4300509

IUPACN-pyrimidin-2-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1ncccn1)c1cccc2ccccc12
InChIInChI=1S/C15H11N3O/c19-14(18-15-16-9-4-10-17-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,16,17,18,19)
InChIKeyHOJDLCKKSKPYNX-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.88
Rot. Bonds2

About N-pyrimidin-2-ylnaphthalene-1-carboxamide

N-pyrimidin-2-ylnaphthalene-1-carboxamide (PubChem CID 4300509) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is N-pyrimidin-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylnaphthalene-1-carboxamide
PubChem CID4300509
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC NameN-pyrimidin-2-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1ncccn1)c1cccc2ccccc12
InChIInChI=1S/C15H11N3O/c19-14(18-15-16-9-4-10-17-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,16,17,18,19)
InChIKeyHOJDLCKKSKPYNX-UHFFFAOYSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylnaphthalene-1-carboxamide?
The IUPAC name of N-pyrimidin-2-ylnaphthalene-1-carboxamide (CID 4300509) is N-pyrimidin-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N-pyrimidin-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for N-pyrimidin-2-ylnaphthalene-1-carboxamide is O=C(Nc1ncccn1)c1cccc2ccccc12.
What is the InChIKey of N-pyrimidin-2-ylnaphthalene-1-carboxamide?
The InChIKey is HOJDLCKKSKPYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-14(18-15-16-9-4-10-17-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,16,17,18,19).
What are the key properties of N-pyrimidin-2-ylnaphthalene-1-carboxamide?
N-pyrimidin-2-ylnaphthalene-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 4300509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).