N-pyridin-3-ylpyrimidine-4-carboxamide

C10H8N4O — CID 91470161

IUPACN-pyridin-3-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccnc1)c1ccncn1
InChIInChI=1S/C10H8N4O/c15-10(9-3-5-12-7-13-9)14-8-2-1-4-11-6-8/h1-7H,(H,14,15)
InChIKeyXXRVKFISKZLEQI-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.12
Rot. Bonds2

About N-pyridin-3-ylpyrimidine-4-carboxamide

N-pyridin-3-ylpyrimidine-4-carboxamide (PubChem CID 91470161) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is N-pyridin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-ylpyrimidine-4-carboxamide
PubChem CID91470161
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC NameN-pyridin-3-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccnc1)c1ccncn1
InChIInChI=1S/C10H8N4O/c15-10(9-3-5-12-7-13-9)14-8-2-1-4-11-6-8/h1-7H,(H,14,15)
InChIKeyXXRVKFISKZLEQI-UHFFFAOYSA-N
XLogP1.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of N-pyridin-3-ylpyrimidine-4-carboxamide (CID 91470161) is N-pyridin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-pyridin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-pyridin-3-ylpyrimidine-4-carboxamide is O=C(Nc1cccnc1)c1ccncn1.
What is the InChIKey of N-pyridin-3-ylpyrimidine-4-carboxamide?
The InChIKey is XXRVKFISKZLEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c15-10(9-3-5-12-7-13-9)14-8-2-1-4-11-6-8/h1-7H,(H,14,15).
What are the key properties of N-pyridin-3-ylpyrimidine-4-carboxamide?
N-pyridin-3-ylpyrimidine-4-carboxamide has a molecular weight of 200.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91470161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).