N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C17H18N6O3 — CID 72872517

IUPACN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCc1nnc(CN(CC)C(=O)c2cnc(-c3cccnc3)[nH]c2=O)o1
InChIInChI=1S/C17H18N6O3/c1-3-13-21-22-14(26-13)10-23(4-2)17(25)12-9-19-15(20-16(12)24)11-6-5-7-18-8-11/h5-9H,3-4,10H2,1-2H3,(H,19,20,24)
InChIKeyWROIKGFCDFOPIO-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.44
Rot. Bonds6

About N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72872517) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72872517
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCc1nnc(CN(CC)C(=O)c2cnc(-c3cccnc3)[nH]c2=O)o1
InChIInChI=1S/C17H18N6O3/c1-3-13-21-22-14(26-13)10-23(4-2)17(25)12-9-19-15(20-16(12)24)11-6-5-7-18-8-11/h5-9H,3-4,10H2,1-2H3,(H,19,20,24)
InChIKeyWROIKGFCDFOPIO-UHFFFAOYSA-N
XLogP1.44
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin-1-yl)-N-[1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-acetamide
CID 10138974
5-[3-(propoxymethyl)pyrrolidine-1-carbonyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 72903291
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72920739
N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-hydroxy-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72841290
N-tert-butyl-5-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 75395021
6-(cyclopropylamino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 75462183
3-({Ethyl[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]amino}methyl)pyridin-2-amine
CID 77081038
(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
CID 124852156
N-[(5-Methyl-1,3,4-oxadiazol-2-YL)methyl]-1-[5-(trifluoromethyl)pyridin-2-YL]piperidine-4-carboxamide
CID 90648623
N-[(5-Ethyl-1,3,4-oxadiazol-2-YL)methyl]-1-[5-(trifluoromethyl)pyridin-2-YL]pyrrolidine-3-carboxamide
CID 91792419
(3R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 100238460
(3S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 100238472

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72872517) is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is CCc1nnc(CN(CC)C(=O)c2cnc(-c3cccnc3)[nH]c2=O)o1.
What is the InChIKey of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is WROIKGFCDFOPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-3-13-21-22-14(26-13)10-23(4-2)17(25)12-9-19-15(20-16(12)24)11-6-5-7-18-8-11/h5-9H,3-4,10H2,1-2H3,(H,19,20,24).
What are the key properties of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72872517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).