N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C17H17N5O2 — CID 56752432

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2)on1
InChIInChI=1S/C17H17N5O2/c1-3-14-7-15(24-21-14)11-22(2)17(23)13-9-19-16(20-10-13)12-5-4-6-18-8-12/h4-10H,3,11H2,1-2H3
InChIKeyJONCVEJZIMQZKD-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.36
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 56752432) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID56752432
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2)on1
InChIInChI=1S/C17H17N5O2/c1-3-14-7-15(24-21-14)11-22(2)17(23)13-9-19-16(20-10-13)12-5-4-6-18-8-12/h4-10H,3,11H2,1-2H3
InChIKeyJONCVEJZIMQZKD-UHFFFAOYSA-N
XLogP2.36
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 56752432) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is CCc1cc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is JONCVEJZIMQZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-14-7-15(24-21-14)11-22(2)17(23)13-9-19-16(20-10-13)12-5-4-6-18-8-12/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56752432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).